N-(4-ethoxyphenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-1-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-N-p-phenetyl-isonipecotamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-3-37-25-13-11-23(12-14-25)30-27(35)22-15-19-33(20-16-22)29(36)26-21(2)31-34(24-9-5-4-6-10-24)28(26)32-17-7-8-18-32/h4-14,17-18,22H,3,15-16,19-20H2,1-2H3,(H,30,35)