2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Formula: C25H22BrN3O4 MolecularWeight: 508.36388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H22BrN3O4/c1-32-21-11-9-18(13-22(21)33-2)28-23(30)15-29-20-10-8-17(26)12-19(20)25(27-14-24(29)31)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,28,30)