4-(7,8-dimethoxy-4-oxidanylidene-3,5-dihydro-2,3-benzodiazepin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(7,8-dimethoxy-4-oxidanylidene-3,5-dihydro-2,3-benzodiazepin-1-yl)benzenecarbonitrile Openeye Name: 4-(7,8-dimethoxy-4-oxo-3,5-dihydro-2,3-benzodiazepin-1-yl)benzonitrile CAS Name: 4-(7,8-dimethoxy-4-oxo-3,5-dihydro-2,3-benzodiazepin-1-yl)benzonitrile IUPAC Name: 4-(7,8-dimethoxy-4-oxo-3,5-dihydro-2,3-benzodiazepin-1-yl)benzonitrile Traditional Name: 4-(4-keto-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-1-yl)benzonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=O)NN=C2C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(=O)NN=C2C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C18H15N3O3/c1-23-15-7-13-8-17(22)20-21-18(14(13)9-16(15)24-2)12-5-3-11(10-19)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,22)