1-[4-(1H-indol-2-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-(1H-indol-2-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-[4-(1H-indol-2-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[4-(1H-indol-2-yl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(1H-indol-2-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-[4-(1H-indol-2-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5N4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5N4)C(C)C

InChI

InChI=1S/C29H32N4O3/c1-18(2)33(28(34)21-10-8-19(3)9-11-21)27-24(29(35)36)17-32(31-27)23-14-12-20(13-15-23)26-16-22-6-4-5-7-25(22)30-26/h4-7,12-19,21,30H,8-11H2,1-3H3,(H,35,36)