CN9
Summary
| Name: | 1-methyl-9H-pyrido[3,4-b]indole |
| Synonyms: | harmane |
| Formula: | C12 H10 N2 |
| Formal charge: | 0 |
| Formula weight: | 182.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-9H-pyrido[3,4-b]indole |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-9~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nccc2c3ccccc3[NH]c21 |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 |
| InChIKey | InChI | 1.03 | PSFDQSOCUJVVGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nccc2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | Cc1nccc2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(ccn1)c3ccccc3[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(ccn1)c3ccccc3[nH]2 |
