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

Systemtic Name: 3-[(4-methylidenecyclohexyl)carbonyl-propan-2-yl-amino]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylenecyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylenecyclohexyl)-oxomethyl]-propan-2-ylamino]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylidenecyclohexanecarbonyl)-propan-2-ylamino]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylenecyclohexanecarbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=NN(C=C1C(=O)O)C2=CC=CC=C2)C(=O)C3CCC(=C)CC3

Isomeric SMILES

CC(C)N(C1=NN(C=C1C(=O)O)C2=CC=CC=C2)C(=O)C3CCC(=C)CC3

InChI

InChI=1S/C21H25N3O3/c1-14(2)24(20(25)16-11-9-15(3)10-12-16)19-18(21(26)27)13-23(22-19)17-7-5-4-6-8-17/h4-8,13-14,16H,3,9-12H2,1-2H3,(H,26,27)