[4-methyl-5-oxidanylidene-3-(pyridin-3-ylmethyl)-1,3,4-benzotriazepin-2-yl]cyanamide

Systemtic Name: [4-methyl-5-oxidanylidene-3-(pyridin-3-ylmethyl)-1,3,4-benzotriazepin-2-yl]cyanamide Openeye Name: [4-methyl-5-oxo-3-(3-pyridylmethyl)-1,3,4-benzotriazepin-2-yl]cyanamide CAS Name: [4-methyl-5-oxo-3-(3-pyridinylmethyl)-1,3,4-benzotriazepin-2-yl]cyanamide IUPAC Name: [4-methyl-5-oxo-3-(pyridin-3-ylmethyl)-1,3,4-benzotriazepin-2-yl]cyanamide Traditional Name: [5-keto-4-methyl-3-(3-pyridylmethyl)-1,3,4-benzotriazepin-2-yl]cyanamide Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C(N1CC3=CN=CC=C3)NC#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C(N1CC3=CN=CC=C3)NC#N

InChI

InChI=1S/C16H14N6O/c1-21-15(23)13-6-2-3-7-14(13)20-16(19-11-17)22(21)10-12-5-4-8-18-9-12/h2-9H,10H2,1H3,(H,19,20)