3-(3-nitrophenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-(3-nitrophenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-3-(3-nitrophenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 3-(3-nitrophenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-3-(3-nitrophenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-3-(3-nitrophenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1C=CC2C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H24N2O3/c30-27-25-23(20-11-5-2-6-12-20)15-8-16-24(25)26(21-13-7-14-22(17-21)29(31)32)28(27)18-19-9-3-1-4-10-19/h1-14,16-17,23-26H,15,18H2