2-[3,7-bis(oxidanylidene)-1-(phenylmethyl)-1,2-diazepan-4-yl]isoindole-1,3-dione

Systemtic Name: 2-[3,7-bis(oxidanylidene)-1-(phenylmethyl)-1,2-diazepan-4-yl]isoindole-1,3-dione Openeye Name: 2-(1-benzyl-3,7-dioxo-diazepan-4-yl)isoindoline-1,3-dione CAS Name: 2-[3,7-dioxo-1-(phenylmethyl)-4-diazepanyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzyl-3,7-dioxodiazepan-4-yl)isoindole-1,3-dione Traditional Name: 2-(1-benzyl-3,7-diketo-diazepan-4-yl)isoindoline-1,3-quinone Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4/c24-17-11-10-16(18(25)21-22(17)12-13-6-2-1-3-7-13)23-19(26)14-8-4-5-9-15(14)20(23)27/h1-9,16H,10-12H2,(H,21,25)