5-(benzotriazol-1-ylmethylamino)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-(benzotriazol-1-ylmethylamino)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-(benzotriazol-1-ylmethylamino)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(1-benzotriazolylmethylamino)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(benzotriazol-1-ylmethylamino)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-(benzotriazol-1-ylmethylamino)-2-phenyl-2-pyrazolin-3-one Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NCN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N6O/c23-16-10-15(19-22(16)12-6-2-1-3-7-12)17-11-21-14-9-5-4-8-13(14)18-20-21/h1-9H,10-11H2,(H,17,19)