2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanenitrile

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanenitrile Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetonitrile CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetonitrile IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetonitrile Traditional Name: 2-(2-keto-5-phenyl-3-phthalimido-3H-1,4-benzodiazepin-1-yl)acetonitrile Formula: C25H16N4O3 MolecularWeight: 420.41954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC#N)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC#N)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H16N4O3/c26-14-15-28-20-13-7-6-12-19(20)21(16-8-2-1-3-9-16)27-22(25(28)32)29-23(30)17-10-4-5-11-18(17)24(29)31/h1-13,22H,15H2