N-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromanyl-benzamide

Systemtic Name: N-[1,3-bis(oxidanylidene)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromanyl-benzamide Openeye Name: 4-bromo-N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide CAS Name: 4-bromo-N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide IUPAC Name: 4-bromo-N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide Traditional Name: 4-bromo-N-(1,3-diketo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide Formula: C27H21BrN2O3 MolecularWeight: 501.37124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)NC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)NC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H21BrN2O3/c28-20-13-11-19(12-14-20)25(31)29-30-26(32)23-21(17-7-3-1-4-8-17)15-16-22(24(23)27(30)33)18-9-5-2-6-10-18/h1-16,21-24H,(H,29,31)