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

Systemtic Name: ethyl 2-(5-cyclohexyl-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl)ethanoate Openeye Name: ethyl 2-(5-cyclohexyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-(5-cyclohexyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-cyclohexyl-2-oxo-4H-1,3,4-benzotriazepin-3-yl)acetate Traditional Name: 2-(5-cyclohexyl-2-keto-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C3CCCCC3

InChI

InChI=1S/C18H23N3O3/c1-2-24-16(22)12-21-18(23)19-15-11-7-6-10-14(15)17(20-21)13-8-4-3-5-9-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3