3-(6-bromanyl-7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(6-bromanyl-7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(6-bromo-7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(6-bromo-7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(6-bromo-7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(6-bromo-2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)OC)Br)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)OC)Br)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16BrN3O3/c1-23-13-8-14(25-2)19(26-3)17(20)16(13)18(22-10-15(23)24)12-6-4-5-11(7-12)9-21/h4-8H,10H2,1-3H3