ethyl 2-(5-cycloheptyl-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl)ethanoate

Systemtic Name: ethyl 2-(5-cycloheptyl-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl)ethanoate Openeye Name: ethyl 2-(5-cycloheptyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-(5-cycloheptyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-cycloheptyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetate Traditional Name: 2-(5-cycloheptyl-2-keto-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C3CCCCCC3

Isomeric SMILES

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C3CCCCCC3

InChI

InChI=1S/C19H25N3O3/c1-2-25-17(23)13-22-19(24)20-16-12-8-7-11-15(16)18(21-22)14-9-5-3-4-6-10-14/h7-8,11-12,14,21H,2-6,9-10,13H2,1H3