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

Systemtic Name: 3-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(3-methoxypropyl)-3H-isoindol-1-one Openeye Name: 3-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-methoxypropyl)isoindolin-1-one CAS Name: 3-[3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one Traditional Name: 2-(3-methoxypropyl)-3-[3-(4-o-phenetylpiperazine-1-carbonyl)anilino]isoindolin-1-one Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4C5=CC=CC=C5C(=O)N4CCCOC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4C5=CC=CC=C5C(=O)N4CCCOC

InChI

InChI=1S/C31H36N4O4/c1-3-39-28-15-7-6-14-27(28)33-17-19-34(20-18-33)30(36)23-10-8-11-24(22-23)32-29-25-12-4-5-13-26(25)31(37)35(29)16-9-21-38-2/h4-8,10-15,22,29,32H,3,9,16-21H2,1-2H3