A1IT1

(3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one

Created:2024-11-13
Last modified:  2024-11-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count2
Bond Count61
Aromatic Bond Count18
2D diagram of A1IT1

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one
Synonyms(3R)-3-[(3R)-4-benzyl-3-phenyl-piperidine-1-carbonyl]indan-1-one
Systematic Name (OpenEye OEToolkits)(3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one
FormulaC27 H26 N2 O2
Molecular Weight410.508
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1C[CH](C(=O)N2CCN(Cc3ccccc3)[CH](C2)c4ccccc4)c5ccccc15
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCN(CC2c3ccccc3)C(=O)C4CC(=O)c5c4cccc5
Canonical SMILESCACTVS3.385 O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C2)c4ccccc4)c5ccccc15
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CN2CCN(C[C@H]2c3ccccc3)C(=O)[C@@H]4CC(=O)c5c4cccc5
InChIInChI1.06 InChI=1S/C27H26N2O2/c30-26-17-24(22-13-7-8-14-23(22)26)27(31)29-16-15-28(18-20-9-3-1-4-10-20)25(19-29)21-11-5-2-6-12-21/h1-14,24-25H,15-19H2/t24-,25+/m1/s1
InChIKeyInChI1.06 UTDHFZWVCNRNGD-RPBOFIJWSA-N

Related Resource References

Resource NameReference
PubChem 172429215