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

Systemtic Name: N-(2,5-dimethoxyphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]isonipecotamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H31N5O3/c1-35-24-10-11-26(36-2)25(18-24)30-27(34)21-12-16-31(17-13-21)20-22-19-29-33(23-8-4-3-5-9-23)28(22)32-14-6-7-15-32/h3-11,14-15,18-19,21H,12-13,16-17,20H2,1-2H3,(H,30,34)