5-[(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]-3H-1,3,4-oxadiazol-2-one

Systemtic Name: 5-[(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]-3H-1,3,4-oxadiazol-2-one Openeye Name: 5-[(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]-3H-1,3,4-oxadiazol-2-one CAS Name: 5-[(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]-3H-1,3,4-oxadiazol-2-one IUPAC Name: 5-[(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]-3H-1,3,4-oxadiazol-2-one Traditional Name: 5-[(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)methyl]-3H-1,3,4-oxadiazol-2-one Formula: C18H13BrN4O3 MolecularWeight: 413.22482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC4=NNC(=O)O4

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC4=NNC(=O)O4

InChI

InChI=1S/C18H13BrN4O3/c19-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)23(14)10-15-21-22-18(25)26-15/h1-8H,9-10H2,(H,22,25)