2-(5-cyclohexyl-3,8-dimethyl-2-oxidanylidene-4H-1,3,4-benzotriazepin-7-yl)isoindole-1,3-dione

Systemtic Name: 2-(5-cyclohexyl-3,8-dimethyl-2-oxidanylidene-4H-1,3,4-benzotriazepin-7-yl)isoindole-1,3-dione Openeye Name: 2-(5-cyclohexyl-3,8-dimethyl-2-oxo-4H-1,3,4-benzotriazepin-7-yl)isoindoline-1,3-dione CAS Name: 2-(5-cyclohexyl-3,8-dimethyl-2-oxo-4H-1,3,4-benzotriazepin-7-yl)isoindole-1,3-dione IUPAC Name: 2-(5-cyclohexyl-3,8-dimethyl-2-oxo-4H-1,3,4-benzotriazepin-7-yl)isoindole-1,3-dione Traditional Name: 2-(5-cyclohexyl-2-keto-3,8-dimethyl-4H-1,3,4-benzotriazepin-7-yl)isoindoline-1,3-quinone Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=O)N(NC(=C2C=C1N3C(=O)C4=CC=CC=C4C3=O)C5CCCCC5)C

Isomeric SMILES

CC1=CC2=NC(=O)N(NC(=C2C=C1N3C(=O)C4=CC=CC=C4C3=O)C5CCCCC5)C

InChI

InChI=1S/C24H24N4O3/c1-14-12-19-18(21(15-8-4-3-5-9-15)26-27(2)24(31)25-19)13-20(14)28-22(29)16-10-6-7-11-17(16)23(28)30/h6-7,10-13,15,26H,3-5,8-9H2,1-2H3