G9X
(6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
| Created: | 2020-08-11 |
| Last modified: | 2021-08-11 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 41 |
| Chiral Atom Count | 1 |
| Bond Count | 44 |
| Aromatic Bond Count | 16 |
Chemical Component Summary | |
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| Name | (6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one |
| Systematic Name (OpenEye OEToolkits) | (6~{R})-6-[(6-chloranyl-1~{H}-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one |
| Formula | C20 H18 Cl N O |
| Molecular Weight | 323.816 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | Clc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Cl |
| Canonical SMILES | CACTVS | 3.385 | Clc1ccc2c(C[C@H]3CCCc4ccccc4C3=O)c[nH]c2c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl |
| InChI | InChI | 1.03 | InChI=1S/C20H18ClNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | GVUXLVCNOFJITN-CQSZACIVSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 156026009 |
