2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-phenyl-3H-isoindol-1-one

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-phenyl-3H-isoindol-1-one Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-phenyl-isoindolin-1-one CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6-nitro-3-phenyl-3H-isoindol-1-one IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-3-phenyl-3H-isoindol-1-one Traditional Name: 2-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-6-nitro-3-phenyl-isoindolin-1-one Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCN3C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN3C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O4/c1-35-25-10-6-5-9-24(25)29-16-13-28(14-17-29)15-18-30-26(20-7-3-2-4-8-20)22-12-11-21(31(33)34)19-23(22)27(30)32/h2-12,19,26H,13-18H2,1H3