LB8
Summary
| Name: | ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide |
| Formula: | C29 H32 F3 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 555.591 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C29H32F3N5O3/c1-18-12-14-20(27(39)35-23(26(33)38)15-13-19-8-4-2-5-9-19)16-24(18)36-28(40)22-17-34-37(25(22)29(30,31)32)21-10-6-3-7-11-21/h3,6-7,10-12,14,16-17,19,23H,2,4-5,8-9,13,15H2,1H3,(H2,33,38)(H,35,39)(H,36,40)/t23-/m0/s1 |
| InChIKey | InChI | 1.03 | ARAZWGAZTSHNHP-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1NC(=O)c2cnn(c3ccccc3)c2C(F)(F)F)C(=O)N[C@@H](CCC4CCCCC4)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1NC(=O)c2cnn(c3ccccc3)c2C(F)(F)F)C(=O)N[CH](CCC4CCCCC4)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)NC(CCC4CCCCC4)C(=O)N |
