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

Systemtic Name: 1-(4-ethenylphenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(4-vinylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-ethenylphenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-ethenylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(4-vinylphenyl)pyrazole-4-carboxylic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

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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=C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-5-17-8-12-19(13-9-17)25-14-20(23(28)29)21(24-25)26(15(2)3)22(27)18-10-6-16(4)7-11-18/h5,8-9,12-16,18H,1,6-7,10-11H2,2-4H3,(H,28,29)