Molecule ID: 34312

IUPAC Name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

Description: The molecule is a dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. It has a role as an anticonvulsant and a drug allergen. It is a dibenzoazepine and a cyclic ketone. It contains a carbamoyl group.

SMILES: N=C(O)N1c2ccccc2CC(=O)c2ccccc21

SELFIES: [N][=C][Branch1][C][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]

InChI: InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)

Molecular Properties:
- Polar Surface Area: 63.4 Ų
- LogP: 1.7