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

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

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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=C5C

Isomeric SMILES

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C31H36N4O3/c1-3-38-21-9-16-35-29(26-13-5-6-14-27(26)31(35)37)32-25-12-8-11-24(22-25)30(36)34-19-17-33(18-20-34)28-15-7-4-10-23(28)2/h4-8,10-15,22,29,32H,3,9,16-21H2,1-2H3