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

Systemtic Name: ethyl 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-cyclohexyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4/c1-5-31-21(29)16-27-23(30)26(15-20(28)24(2,3)4)19-14-10-9-13-18(19)22(25-27)17-11-7-6-8-12-17/h9-10,13-14,17H,5-8,11-12,15-16H2,1-4H3