1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-5-pyridin-2-yl-3H-1,3,4-benzotriazepin-2-one

Systemtic Name: 1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-5-pyridin-2-yl-3H-1,3,4-benzotriazepin-2-one Openeye Name: 1-[2-(o-tolyl)-2-oxo-ethyl]-5-(2-pyridyl)-3H-1,3,4-benzotriazepin-2-one CAS Name: 1-[2-(2-methylphenyl)-2-oxoethyl]-5-(2-pyridinyl)-3H-1,3,4-benzotriazepin-2-one IUPAC Name: 1-[2-(2-methylphenyl)-2-oxoethyl]-5-pyridin-2-yl-3H-1,3,4-benzotriazepin-2-one Traditional Name: 1-[2-keto-2-(o-tolyl)ethyl]-5-(2-pyridyl)-3H-1,3,4-benzotriazepin-2-one Formula: C22H18N4O2 MolecularWeight: 370.40392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NNC2=O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NNC2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H18N4O2/c1-15-8-2-3-9-16(15)20(27)14-26-19-12-5-4-10-17(19)21(24-25-22(26)28)18-11-6-7-13-23-18/h2-13H,14H2,1H3,(H,25,28)