3-[(4-methylcyclohexyl)carbonyl-phenyl-amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-phenyl-amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(N-(4-methylcyclohexanecarbonyl)anilino)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(N-[(4-methylcyclohexyl)-oxomethyl]anilino)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(N-(4-methylcyclohexanecarbonyl)anilino)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(N-(4-methylcyclohexanecarbonyl)anilino)-1-phenyl-pyrazole-4-carboxylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=CC=CC=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=CC=CC=C2)C3=NN(C=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c1-17-12-14-18(15-13-17)23(28)27(20-10-6-3-7-11-20)22-21(24(29)30)16-26(25-22)19-8-4-2-5-9-19/h2-11,16-18H,12-15H2,1H3,(H,29,30)