2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidin-1-yl]carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidin-1-yl]carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidine-1-carbonyl]-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[[(2S)-2-methyl-1-piperidinyl]-oxomethyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(2S)-2-methylpiperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-[(2S)-2-methylpiperidine-1-carbonyl]piperidino]-2-piperonyl-isoindoline-1,3-quinone Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H31N3O5/c1-18-5-2-3-12-30(18)26(32)20-10-13-29(14-11-20)22-7-4-6-21-25(22)28(34)31(27(21)33)16-19-8-9-23-24(15-19)36-17-35-23/h4,6-9,15,18,20H,2-3,5,10-14,16-17H2,1H3/t18-/m0/s1