A1CD9
Summary
| Name: | 1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one |
| Formula: | C14 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 228.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)N1Cc2c3cc(C)ccc3[NH]c2CC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O/c1-9-3-4-13-11(7-9)12-8-16(10(2)17)6-5-14(12)15-13/h3-4,7,15H,5-6,8H2,1-2H3 |
| InChIKey | InChI | 1.06 | KEKBLSZOFATKIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)c3c([nH]2)CCN(C3)C(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)c3c([nH]2)CCN(C3)C(=O)C |
