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

Systemtic Name: 2-(2-methylpropyl)-3-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 2-isobutyl-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 2-(2-methylpropyl)-3-[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(2-methylpropyl)-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 2-isobutyl-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O4/c1-20(2)19-33-27(25-5-3-4-6-26(25)29(33)36)30-22-9-7-21(8-10-22)28(35)32-17-15-31(16-18-32)23-11-13-24(14-12-23)34(37)38/h3-14,20,27,30H,15-19H2,1-2H3