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

Systemtic Name: 2-(3-methoxypropyl)-3-[[4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 3-[4-(4-cinnamylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one CAS Name: 2-(3-methoxypropyl)-3-[4-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(3-methoxypropyl)-3-[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 3-[4-(4-cinnamylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

InChI

InChI=1S/C32H36N4O3/c1-39-24-8-19-36-30(28-12-5-6-13-29(28)32(36)38)33-27-16-14-26(15-17-27)31(37)35-22-20-34(21-23-35)18-7-11-25-9-3-2-4-10-25/h2-7,9-17,30,33H,8,18-24H2,1H3