1,3-dihydroisoindol-2-yl-[6-methyl-2-[1-(5-nitrothiophen-3-yl)carbonylpiperidin-4-yl]pyridin-3-yl]methanone

Systemtic Name: 1,3-dihydroisoindol-2-yl-[6-methyl-2-[1-(5-nitrothiophen-3-yl)carbonylpiperidin-4-yl]pyridin-3-yl]methanone Openeye Name: isoindolin-2-yl-[6-methyl-2-[1-(5-nitrothiophene-3-carbonyl)-4-piperidyl]-3-pyridyl]methanone CAS Name: 1,3-dihydroisoindol-2-yl-[6-methyl-2-[1-[(5-nitro-3-thiophenyl)-oxomethyl]-4-piperidinyl]-3-pyridinyl]methanone IUPAC Name: 1,3-dihydroisoindol-2-yl-[6-methyl-2-[1-(5-nitrothiophene-3-carbonyl)piperidin-4-yl]pyridin-3-yl]methanone Traditional Name: isoindolin-2-yl-[6-methyl-2-[1-(5-nitrothiophene-3-carbonyl)-4-piperidyl]-3-pyridyl]methanone Formula: C25H24N4O4S MolecularWeight: 476.54746

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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)C5=CSC(=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-16-6-7-21(25(31)28-13-18-4-2-3-5-19(18)14-28)23(26-16)17-8-10-27(11-9-17)24(30)20-12-22(29(32)33)34-15-20/h2-7,12,15,17H,8-11,13-14H2,1H3