4-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-piperidyl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-o-phenetylpiperazine-1-carbonyl)piperidino]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CSC=C6

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CSC=C6

InChI

InChI=1S/C31H34N4O4S/c1-2-39-27-9-4-3-7-25(27)33-15-17-34(18-16-33)29(36)23-10-13-32(14-11-23)26-8-5-6-24-28(26)31(38)35(30(24)37)20-22-12-19-40-21-22/h3-9,12,19,21,23H,2,10-11,13-18,20H2,1H3