N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitro-pyrrol-2-yl)carbonylpiperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitro-pyrrole-2-carbonyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitro-pyrrole-2-carbonyl)-4-piperidyl]nicotinamide Formula: C27H27N7O4 MolecularWeight: 513.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C5=CC(=CN5C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C5=CC(=CN5C)[N+](=O)[O-]

InChI

InChI=1S/C27H27N7O4/c1-18-3-8-23(26(35)30-20-4-6-21(7-5-20)33-14-11-28-17-33)25(29-18)19-9-12-32(13-10-19)27(36)24-15-22(34(37)38)16-31(24)2/h3-8,11,14-17,19H,9-10,12-13H2,1-2H3,(H,30,35)