ethyl 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)OCC)C3CCCCC3

Isomeric SMILES

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)OCC)C3CCCCC3

InChI

InChI=1S/C22H31N3O4/c1-3-28-15-14-24-19-13-9-8-12-18(19)21(17-10-6-5-7-11-17)23-25(22(24)27)16-20(26)29-4-2/h8-9,12-13,17H,3-7,10-11,14-16H2,1-2H3