VP6
Summary
| Name: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone |
| Formula: | C21 H23 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 382.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1~{H}-indol-2-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23FN4O2/c1-21(2,28)14-6-5-12-8-17(25-16(12)9-14)20(27)26-7-3-4-13-10-24-19(23)18(22)15(13)11-26/h5-6,8-10,25,28H,3-4,7,11H2,1-2H3,(H2,23,24) |
| InChIKey | InChI | 1.06 | GKQSKUWMVJZQIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3 |
| SMILES | CACTVS | 3.385 | CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(c(c4C3)F)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(c(c4C3)F)N)O |
