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

Systemtic Name: 2-ethyl-3-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 2-ethyl-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 2-ethyl-3-[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-ethyl-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 2-ethyl-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C(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/C27H27N5O4/c1-2-31-25(23-5-3-4-6-24(23)27(31)34)28-20-9-7-19(8-10-20)26(33)30-17-15-29(16-18-30)21-11-13-22(14-12-21)32(35)36/h3-14,25,28H,2,15-18H2,1H3