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

Systemtic Name: 3-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(3-ethoxypropyl)-3H-isoindol-1-one Openeye Name: 3-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-ethoxypropyl)isoindolin-1-one CAS Name: 3-[3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-(3-ethoxypropyl)-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-ethoxypropyl)-3H-isoindol-1-one Traditional Name: 2-(3-ethoxypropyl)-3-[3-(4-o-phenetylpiperazine-1-carbonyl)anilino]isoindolin-1-one Formula: C32H38N4O4 MolecularWeight: 542.66852

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OCC

Isomeric SMILES

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OCC

InChI

InChI=1S/C32H38N4O4/c1-3-39-22-10-17-36-30(26-13-5-6-14-27(26)32(36)38)33-25-12-9-11-24(23-25)31(37)35-20-18-34(19-21-35)28-15-7-8-16-29(28)40-4-2/h5-9,11-16,23,30,33H,3-4,10,17-22H2,1-2H3