ethyl 5-pentan-3-yl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-pentan-3-yl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(1-ethylpropyl)-1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]pyrazole-3-carboxylate CAS Name: 1-[4-[oxo-(4-phenylbutan-2-ylamino)methyl]phenyl]-5-pentan-3-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-pentan-3-yl-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(1-ethylpropyl)-1-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C28H35N3O3 MolecularWeight: 461.5958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(C)CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H35N3O3/c1-5-22(6-2)26-19-25(28(33)34-7-3)30-31(26)24-17-15-23(16-18-24)27(32)29-20(4)13-14-21-11-9-8-10-12-21/h8-12,15-20,22H,5-7,13-14H2,1-4H3,(H,29,32)