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

Systemtic Name: 3-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one Openeye Name: 2-(1-methyl-3-phenyl-propyl)-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 3-[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]anilino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one Traditional Name: 2-(1-methyl-3-phenyl-propyl)-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C35H35N5O4 MolecularWeight: 589.6835

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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)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C35H35N5O4/c1-25(11-12-26-7-3-2-4-8-26)39-33(31-9-5-6-10-32(31)35(39)42)36-28-15-13-27(14-16-28)34(41)38-23-21-37(22-24-38)29-17-19-30(20-18-29)40(43)44/h2-10,13-20,25,33,36H,11-12,21-24H2,1H3