N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[3-(2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[3-(2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[3-(2-nitrophenyl)prop-2-enoyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-[1-[3-(2-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[3-(2-nitrophenyl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[3-(2-nitrophenyl)acryloyl]-4-piperidyl]nicotinamide Formula: C27H30N6O4 MolecularWeight: 502.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H30N6O4/c1-20-7-9-23(27(35)29-13-4-15-31-18-14-28-19-31)26(30-20)22-11-16-32(17-12-22)25(34)10-8-21-5-2-3-6-24(21)33(36)37/h2-3,5-10,14,18-19,22H,4,11-13,15-17H2,1H3,(H,29,35)