1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C=CC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C=CC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O4/c1-20-10-12-25(29(35)32-18-23-7-2-3-8-24(23)19-32)28(30-20)22-14-16-31(17-15-22)27(34)13-11-21-6-4-5-9-26(21)33(36)37/h2-13,22H,14-19H2,1H3