1-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]isonipecotamide Formula: C29H27ClN4O2 MolecularWeight: 499.00328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O2/c30-24-13-11-22(12-14-24)27-26(20-34(32-27)25-9-5-2-6-10-25)29(36)33-17-15-23(16-18-33)28(35)31-19-21-7-3-1-4-8-21/h1-14,20,23H,15-19H2,(H,31,35)