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

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(propan-2-ylideneamino)ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(isopropylideneamino)acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(propan-2-ylideneamino)acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(propan-2-ylideneamino)acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(isopropylideneamino)acetamide Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3)C

Isomeric SMILES

CC(=NNC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19BrN4O2/c1-13(2)23-24-18(26)12-25-17-9-8-15(21)10-16(17)20(22-11-19(25)27)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,24,26)