1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-pyridin-2-yl-3H-1,3,4-benzotriazepin-2-one

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-pyridin-2-yl-3H-1,3,4-benzotriazepin-2-one Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-5-(2-pyridyl)-3H-1,3,4-benzotriazepin-2-one CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-5-(2-pyridinyl)-3H-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-5-pyridin-2-yl-3H-1,3,4-benzotriazepin-2-one Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,3,4-benzotriazepin-2-one Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NNC1=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NNC1=O)C3=CC=CC=N3

InChI

InChI=1S/C19H20N4O2/c1-19(2,3)16(24)12-23-15-10-5-4-8-13(15)17(21-22-18(23)25)14-9-6-7-11-20-14/h4-11H,12H2,1-3H3,(H,22,25)