N-(2-ethyl-6-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-3-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-3-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]nipecotamide Formula: C29H33N5O MolecularWeight: 467.60522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C29H33N5O/c1-3-23-12-9-11-22(2)27(23)31-28(35)24-13-10-16-32(20-24)21-25-19-30-34(26-14-5-4-6-15-26)29(25)33-17-7-8-18-33/h4-9,11-12,14-15,17-19,24H,3,10,13,16,20-21H2,1-2H3,(H,31,35)