6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine

Systemtic Name: 6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine Openeye Name: 6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine CAS Name: 6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine IUPAC Name: 6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine Traditional Name: (6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)amine Formula: C16H13N5 MolecularWeight: 275.30792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C3=NN=CN3C4=CC=CC=C42)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C3=NN=CN3C4=CC=CC=C42)N

InChI

InChI=1S/C16H13N5/c17-15-16-20-18-10-21(16)13-9-5-4-8-12(13)14(19-15)11-6-2-1-3-7-11/h1-10,15H,17H2