P57
Summary
| Name: | 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole |
| Formula: | C18 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 273.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole |
| OpenEye OEToolkits | 2.0.7 | 3-(imidazol-1-ylmethyl)-2-phenyl-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C18H15N3/c1-2-6-14(7-3-1)18-16(12-21-11-10-19-13-21)15-8-4-5-9-17(15)20-18/h1-11,13,20H,12H2 |
| InChIKey | InChI | 1.03 | RFRCCSUYEPHDFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(n1ccnc1)c2c([nH]c3ccccc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | C(n1ccnc1)c2c([nH]c3ccccc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4 |
