8-bromanyl-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one

Systemtic Name: 8-bromanyl-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one Openeye Name: 8-bromo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one CAS Name: 8-bromo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one IUPAC Name: 8-bromo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one Traditional Name: 8-bromo-2-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one Formula: C17H13BrN4O MolecularWeight: 369.21532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N2C(=N1)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)N2C(=N1)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C17H13BrN4O/c1-21-17(23)22-14-8-7-12(18)9-13(14)16(19-10-15(22)20-21)11-5-3-2-4-6-11/h2-9H,10H2,1H3