azepin-4-one; 1,2-benzodiazepin-5-one

Systemtic Name: azepin-4-one; 1,2-benzodiazepin-5-one Openeye Name: azepin-4-one; 1,2-benzodiazepin-5-one CAS Name: 4-azepinone; 1,2-benzodiazepin-5-one IUPAC Name: azepin-4-one; 1,2-benzodiazepin-5-one Traditional Name: azepin-4-one; 1,2-benzodiazepin-5-one Formula: C21H16N4O3 MolecularWeight: 372.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=CN=N2.C1=CC(=O)C=CN=C1.C1=CC(=O)C=CN=C1

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=CN=N2.C1=CC(=O)C=CN=C1.C1=CC(=O)C=CN=C1

InChI

InChI=1S/C9H6N2O.2C6H5NO/c12-9-5-6-10-11-8-4-2-1-3-7(8)9;2*8-6-2-1-4-7-5-3-6/h1-6H;2*1-5H