3-ethanoyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one

Systemtic Name: 3-ethanoyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one Openeye Name: 3-acetyl-2-(4-pyridyl)-4H-1,3,4-benzotriazepin-5-one CAS Name: 3-acetyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 3-acetyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one Traditional Name: 3-acetyl-2-(4-pyridyl)-4H-1,3,4-benzotriazepin-5-one Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC2=CC=CC=C2C(=O)N1)C3=CC=NC=C3

Isomeric SMILES

CC(=O)N1C(=NC2=CC=CC=C2C(=O)N1)C3=CC=NC=C3

InChI

InChI=1S/C15H12N4O2/c1-10(20)19-14(11-6-8-16-9-7-11)17-13-5-3-2-4-12(13)15(21)18-19/h2-9H,1H3,(H,18,21)