2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(4-phenylpiperazine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(4-phenylpiperazine-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C33H34N4O5 MolecularWeight: 566.64686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4COC5=CC=CC=C5O4)C(=O)N6CCN(CC6)C7=CC=CC=C7

Isomeric SMILES

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4COC5=CC=CC=C5O4)C(=O)N6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C33H34N4O5/c38-31(35-18-16-34(17-19-35)24-9-2-1-3-10-24)23-8-7-15-36(20-23)27-12-6-11-26-30(27)33(40)37(32(26)39)21-25-22-41-28-13-4-5-14-29(28)42-25/h1-6,9-14,23,25H,7-8,15-22H2