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

Systemtic Name: 2-(4-phenylbutan-2-yl)-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-(1-methyl-3-phenyl-propyl)isoindolin-1-one CAS Name: 3-[4-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]anilino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one IUPAC Name: 2-(4-phenylbutan-2-yl)-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-(1-methyl-3-phenyl-propyl)isoindolin-1-one Formula: C38H40N4O2 MolecularWeight: 584.7498

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)CC=CC6=CC=CC=C6

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)CC=CC6=CC=CC=C6

InChI

InChI=1S/C38H40N4O2/c1-29(18-19-31-13-6-3-7-14-31)42-36(34-16-8-9-17-35(34)38(42)44)39-33-22-20-32(21-23-33)37(43)41-27-25-40(26-28-41)24-10-15-30-11-4-2-5-12-30/h2-17,20-23,29,36,39H,18-19,24-28H2,1H3