N-[(2-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]isonipecotamide Formula: C27H28ClN5O MolecularWeight: 473.99712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2Cl)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C27H28ClN5O/c28-25-11-5-4-8-22(25)18-29-26(34)21-12-16-31(17-13-21)20-23-19-30-33(24-9-2-1-3-10-24)27(23)32-14-6-7-15-32/h1-11,14-15,19,21H,12-13,16-18,20H2,(H,29,34)