SOK
Summary
| Name: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one |
| Formula: | C16 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 286.756 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3 |
| InChIKey | InChI | 1.03 | NHRQHOMIYFOZIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O |
