I6L
Summary
| Name: | ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide |
| Formula: | C24 H30 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 406.521 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H30N4O2/c1-5-6-9-17(22-26-15-10-7-8-11-16(15)27-22)28-23(30)21-14(2)20-18(25-21)12-24(3,4)13-19(20)29/h7-8,10-11,17,25H,5-6,9,12-13H2,1-4H3,(H,26,27)(H,28,30)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | MLILCMJFXVXZFP-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3 |
| SMILES | CACTVS | 3.385 | CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(c1[nH]c2ccccc2n1)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C |
