3-ethanoyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one

Systemtic Name: 3-ethanoyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one Openeye Name: 3-acetyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one CAS Name: 3-acetyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one IUPAC Name: 3-acetyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one Traditional Name: 3-acetyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NCCC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=NCCC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-9(16)12-13-8-7-11(17)15(14-12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)