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

Systemtic Name: 3-(7-bromanyl-6,8-dimethoxy-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7-bromo-6,8-dimethoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7-bromo-6,8-dimethoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7-bromo-6,8-dimethoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(7-bromo-2-keto-6,8-dimethoxy-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Formula: C18H14BrN3O3 MolecularWeight: 400.22606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)OC)Br

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)OC)Br

InChI

InChI=1S/C18H14BrN3O3/c1-24-13-7-12-15(18(25-2)16(13)19)17(21-9-14(23)22-12)11-5-3-4-10(6-11)8-20/h3-7H,9H2,1-2H3,(H,22,23)