4H5
Summary
| Name: | (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile |
| Formula: | C14 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 271.702 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile |
| OpenEye OEToolkits | 1.9.2 | 2-(1-chloranyl-7-methoxy-pyrido[3,4-b]indol-9-yl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21ccc(cc1n(c3c2ccnc3Cl)CC#N)OC |
| InChI | InChI | 1.03 | InChI=1S/C14H10ClN3O/c1-19-9-2-3-10-11-4-6-17-14(15)13(11)18(7-5-16)12(10)8-9/h2-4,6,8H,7H2,1H3 |
| InChIKey | InChI | 1.03 | BKIAHCJPMJSHSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(c1)n(CC#N)c3c(Cl)nccc23 |
| SMILES | CACTVS | 3.385 | COc1ccc2c(c1)n(CC#N)c3c(Cl)nccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl |
