1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: 1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C27H26N4O5 MolecularWeight: 486.51914

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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=C(O5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C=CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5/c1-18-6-9-23(27(33)30-16-20-4-2-3-5-21(20)17-30)26(28-18)19-12-14-29(15-13-19)24(32)10-7-22-8-11-25(36-22)31(34)35/h2-11,19H,12-17H2,1H3