3-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one Openeye Name: 3-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-isobutyl-isoindolin-1-one CAS Name: 3-[4-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one Traditional Name: 2-isobutyl-3-[4-(4-o-phenetylpiperazine-1-carbonyl)anilino]isoindolin-1-one Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4CC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4CC(C)C

InChI

InChI=1S/C31H36N4O3/c1-4-38-28-12-8-7-11-27(28)33-17-19-34(20-18-33)30(36)23-13-15-24(16-14-23)32-29-25-9-5-6-10-26(25)31(37)35(29)21-22(2)3/h5-16,22,29,32H,4,17-21H2,1-3H3