2OI
Summary
| Name: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one |
| Formula: | C19 H17 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 340.803 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H17ClN2O2/c1-24-16-7-6-14-17-13(8-9-21-19(14)23)15(22-18(16)17)10-11-2-4-12(20)5-3-11/h2-7,22H,8-10H2,1H3,(H,21,23) |
| InChIKey | InChI | 1.03 | BBDGBXJCUOGYNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C(=O)NCCc3c(Cc4ccc(Cl)cc4)[nH]c1c23 |
| SMILES | CACTVS | 3.385 | COc1ccc2C(=O)NCCc3c(Cc4ccc(Cl)cc4)[nH]c1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c3c1[nH]c(c3CCNC2=O)Cc4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c3c1[nH]c(c3CCNC2=O)Cc4ccc(cc4)Cl |
