ethyl 5-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-(4-o-toluoylpiperazino)phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C29H29N5O3 MolecularWeight: 495.57226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)C5=CC=CC=N5

InChI

InChI=1S/C29H29N5O3/c1-3-37-29(36)25-20-26(34(31-25)27-10-6-7-15-30-27)22-11-13-23(14-12-22)32-16-18-33(19-17-32)28(35)24-9-5-4-8-21(24)2/h4-15,20H,3,16-19H2,1-2H3