4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-[(1-oxidanylcyclohexyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-[(1-oxidanylcyclohexyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-[(1-hydroxycyclohexyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(2-ethoxyphenyl)methyl]-1-piperazinyl]-2-[(1-hydroxycyclohexyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-[(1-hydroxycyclohexyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(2-ethoxybenzyl)piperazino]-2-[(1-hydroxycyclohexyl)methyl]isoindoline-1,3-quinone Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5(CCCCC5)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5(CCCCC5)O

InChI

InChI=1S/C28H35N3O4/c1-2-35-24-12-5-4-9-21(24)19-29-15-17-30(18-16-29)23-11-8-10-22-25(23)27(33)31(26(22)32)20-28(34)13-6-3-7-14-28/h4-5,8-12,34H,2-3,6-7,13-20H2,1H3