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

Systemtic Name: 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-2-(4-fluorophenyl)vinyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-[(E)-2-(4-fluorophenyl)vinyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C=CC3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O3/c1-15(2)27(22(28)18-8-4-16(3)5-9-18)21-20(23(29)30)14-26(25-21)13-12-17-6-10-19(24)11-7-17/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,29,30)/b13-12+