3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-(thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-[4-(4-thiazolylmethoxy)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-(thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxylic acid Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=CSC=N4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=CSC=N4)C(C)C

InChI

InChI=1S/C25H30N4O4S/c1-16(2)29(24(30)18-6-4-17(3)5-7-18)23-22(25(31)32)12-28(27-23)20-8-10-21(11-9-20)33-13-19-14-34-15-26-19/h8-12,14-18H,4-7,13H2,1-3H3,(H,31,32)