3-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-(4-methylcyclohexyl)carbonyl-amino]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-(4-methylcyclohexyl)carbonyl-amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[[2-(dimethylamino)-2-oxo-ethyl]-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[2-(dimethylamino)-2-oxoethyl]-[(4-methylcyclohexyl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[[2-(dimethylamino)-2-oxoethyl]-(4-methylcyclohexanecarbonyl)amino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[[2-(dimethylamino)-2-keto-ethyl]-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-15-9-11-16(12-10-15)21(28)25(14-19(27)24(2)3)20-18(22(29)30)13-26(23-20)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,29,30)