3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-[(E)-2-(4-pyridyl)vinyl]phenyl]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-[(E)-2-(4-pyridyl)vinyl]phenyl]pyrazole-4-carboxylic acid Formula: C28H32N4O3 MolecularWeight: 472.57868

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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)C=CC4=CC=NC=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3/c1-19(2)32(27(33)23-10-4-20(3)5-11-23)26-25(28(34)35)18-31(30-26)24-12-8-21(9-13-24)6-7-22-14-16-29-17-15-22/h6-9,12-20,23H,4-5,10-11H2,1-3H3,(H,34,35)/b7-6+