N-[(4-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]nipecotamide Formula: C27H28ClN5O MolecularWeight: 473.99712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

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