3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(5-phenylthiophen-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(5-phenylthiophen-2-yl)pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(5-phenyl-2-thienyl)pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(5-phenyl-2-thiophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(5-phenylthiophen-2-yl)pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(5-phenyl-2-thienyl)pyrazole-4-carboxylic acid Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(S3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(S3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H29N3O3S/c1-16(2)28(24(29)19-11-9-17(3)10-12-19)23-20(25(30)31)15-27(26-23)22-14-13-21(32-22)18-7-5-4-6-8-18/h4-8,13-17,19H,9-12H2,1-3H3,(H,30,31)