Molecule ID: 2555

IUPAC Name: 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide

Description: The molecule is an epoxide and metabolite of carbamazepine. It has a role as a marine xenobiotic metabolite, a drug metabolite and an allergen. It is an epoxide, a member of ureas and a dibenzoazepine. It derives from a carbamazepine.

SMILES: N=C(O)N1c2ccccc2C2OC2c2ccccc21

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

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

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 1.3