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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-phenylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(4-phenylphenyl)pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(4-phenylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(4-phenylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(4-phenylphenyl)pyrazole-4-carboxylic acid Formula: C27H31N3O3 MolecularWeight: 445.55334

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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=CC=CC=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-18(2)30(26(31)22-11-9-19(3)10-12-22)25-24(27(32)33)17-29(28-25)23-15-13-21(14-16-23)20-7-5-4-6-8-20/h4-8,13-19,22H,9-12H2,1-3H3,(H,32,33)