AF6
Summary
| Name: | N-benzyl-9H-beta-carbolin-3-amine |
| Formula: | C18 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 273.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-benzyl-9H-beta-carbolin-3-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(phenylmethyl)-9~{H}-pyrido[3,4-b]indol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4 |
| InChI | InChI | 1.03 | InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20) |
| InChIKey | InChI | 1.03 | AMHUWPNOAHGUFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Nc1cc2c([nH]c3ccccc23)cn1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C(Nc1cc2c([nH]c3ccccc23)cn1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2 |
