3-azanyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methylidene]-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 3-azanyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methylidene]-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one Openeye Name: 3-amino-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methylene]-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one CAS Name: 3-amino-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methylidene]-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 3-amino-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methylidene]-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one Traditional Name: 3-amino-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methylene]-5-phenyl-3H-1,4-benzodiazepin-1-ium-2-one Formula: C19H17N6O+ MolecularWeight: 345.37788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C=[N+]2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NN1)C=[N+]2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4

InChI

InChI=1S/C19H16N6O/c1-12-21-16(24-23-12)11-25-15-10-6-5-9-14(15)17(22-18(20)19(25)26)13-7-3-2-4-8-13/h2-11,18H,20H2,1H3/p+1