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

Systemtic Name: N-(2,4-dimethylphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: N-(2,4-dimethylphenyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]isonipecotamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C28H31N5O/c1-21-10-11-26(22(2)18-21)30-27(34)23-12-16-31(17-13-23)20-24-19-29-33(25-8-4-3-5-9-25)28(24)32-14-6-7-15-32/h3-11,14-15,18-19,23H,12-13,16-17,20H2,1-2H3,(H,30,34)