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

Systemtic Name: 5-phenyl-3-(1H-1,2,4-triazol-5-ylmethyl)-1,4-benzodiazepin-2-one Openeye Name: 5-phenyl-3-(1H-1,2,4-triazol-5-ylmethyl)-1,4-benzodiazepin-2-one CAS Name: 5-phenyl-3-(1H-1,2,4-triazol-5-ylmethyl)-1,4-benzodiazepin-2-one IUPAC Name: 5-phenyl-3-(1H-1,2,4-triazol-5-ylmethyl)-1,4-benzodiazepin-2-one Traditional Name: 5-phenyl-3-(1H-1,2,4-triazol-5-ylmethyl)-1,4-benzodiazepin-2-one Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=N2)CC4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=N2)CC4=NC=NN4

InChI

InChI=1S/C18H13N5O/c24-18-15(10-16-19-11-20-23-16)21-17(12-6-2-1-3-7-12)13-8-4-5-9-14(13)22-18/h1-9,11H,10H2,(H,19,20,23)