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

Systemtic Name: ethyl 2-[5-cyclohexyl-2-oxidanylidene-1-(2-oxidanylidenepropyl)-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-(1-acetonyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-2-oxo-1-(2-oxopropyl)-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-(1-acetonyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C

InChI

InChI=1S/C21H27N3O4/c1-3-28-19(26)14-24-21(27)23(13-15(2)25)18-12-8-7-11-17(18)20(22-24)16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3