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

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-ethylphenyl)ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-ethylphenyl)acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-ethylphenyl)acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-ethylphenyl)acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(4-ethylphenyl)acetamide Formula: C25H22BrN3O2 MolecularWeight: 476.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H22BrN3O2/c1-2-17-8-11-20(12-9-17)28-23(30)16-29-22-13-10-19(26)14-21(22)25(27-15-24(29)31)18-6-4-3-5-7-18/h3-14H,2,15-16H2,1H3,(H,28,30)