[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C30H28ClN3O3 MolecularWeight: 514.01462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H28ClN3O3/c31-25-13-11-24(12-14-25)29-27(20-34(32-29)26-9-5-2-6-10-26)30(36)37-21-28(35)33-17-15-23(16-18-33)19-22-7-3-1-4-8-22/h1-14,20,23H,15-19,21H2