5-phenyl-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)-5H-1,4-benzodiazepin-2-one

Systemtic Name: 5-phenyl-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)-5H-1,4-benzodiazepin-2-one Openeye Name: 5-phenyl-1-(2H-tetrazol-5-ylmethyl)-5H-1,4-benzodiazepin-2-one CAS Name: 5-phenyl-1-(2H-tetrazol-5-ylmethyl)-5H-1,4-benzodiazepin-2-one IUPAC Name: 5-phenyl-1-(2H-tetrazol-5-ylmethyl)-5H-1,4-benzodiazepin-2-one Traditional Name: 5-phenyl-1-(2H-tetrazol-5-ylmethyl)-5H-1,4-benzodiazepin-2-one Formula: C17H14N6O MolecularWeight: 318.33266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3N(C(=O)C=N2)CC4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3N(C(=O)C=N2)CC4=NNN=N4

InChI

InChI=1S/C17H14N6O/c24-16-10-18-17(12-6-2-1-3-7-12)13-8-4-5-9-14(13)23(16)11-15-19-21-22-20-15/h1-10,17H,11H2,(H,19,20,21,22)