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

Systemtic Name: 1-[4-[(3-methoxyphenyl)carbonylamino]phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-[(3-methoxybenzoyl)amino]phenyl]pyrazole-4-carboxylic acid CAS Name: 1-[4-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-(m-anisoylamino)phenyl]pyrazole-4-carboxylic acid Formula: C29H34N4O5 MolecularWeight: 518.60406

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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)NC(=O)C4=CC(=CC=C4)OC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O5/c1-18(2)33(28(35)20-10-8-19(3)9-11-20)26-25(29(36)37)17-32(31-26)23-14-12-22(13-15-23)30-27(34)21-6-5-7-24(16-21)38-4/h5-7,12-20H,8-11H2,1-4H3,(H,30,34)(H,36,37)