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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-3-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: N-m-anisyl-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-36-24-13-7-9-21(17-24)18-29-26(34)22-10-8-16-32(20-22)28(35)25-19-30-33(23-11-3-2-4-12-23)27(25)31-14-5-6-15-31/h2-7,9,11-15,17,19,22H,8,10,16,18,20H2,1H3,(H,29,34)