74D
Summary
| Name: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide |
| Formula: | C28 H36 F2 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 514.607 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H36F2N4O3/c1-17-14-24(37-5)22(26(35)32-17)15-31-27(36)25-19(3)34(23-9-7-6-8-21(23)25)18(2)20-10-12-33(13-11-20)16-28(4,29)30/h6-9,14,18,20,22H,10-13,15-16H2,1-5H3,(H,31,36)/t18-,22+/m1/s1 |
| InChIKey | InChI | 1.03 | MNZANYNOXFULDI-GCJKJVERSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=CC(=NC(=O)[C@H]1CNC(=O)c2c(C)n([C@H](C)C3CCN(CC3)CC(C)(F)F)c4ccccc24)C |
| SMILES | CACTVS | 3.385 | COC1=CC(=NC(=O)[CH]1CNC(=O)c2c(C)n([CH](C)C3CCN(CC3)CC(C)(F)F)c4ccccc24)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(c2ccccc2n1C(C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC |
