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

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C26H24BrN3O5 MolecularWeight: 538.38986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H24BrN3O5/c1-33-21-12-18(13-22(34-2)26(21)35-3)29-23(31)15-30-20-10-9-17(27)11-19(20)25(28-14-24(30)32)16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3,(H,29,31)