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

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

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

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