OZ8
4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
Created: | 2020-04-08 |
Last modified: | 2021-04-14 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 50 |
Chiral Atom Count | 1 |
Bond Count | 53 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one |
Systematic Name (OpenEye OEToolkits) | 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one |
Formula | C20 H25 N3 O2 |
Molecular Weight | 339.431 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 |
Canonical SMILES | CACTVS | 3.385 | O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[C@@H]3Cc4ccccc4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | NUUYFIBMHLLMSL-QGZVFWFLSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155884468 |