N-(phenylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(phenylmethyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-benzyl-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carboxamide CAS Name: 1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: N-benzyl-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c33-25(28-18-21-10-3-1-4-11-21)22-12-9-17-31(20-22)27(34)24-19-29-32(23-13-5-2-6-14-23)26(24)30-15-7-8-16-30/h1-8,10-11,13-16,19,22H,9,12,17-18,20H2,(H,28,33)