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

Systemtic Name: ethyl 2-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C(C)(C)C

InChI

InChI=1S/C23H26N4O4/c1-5-31-20(29)15-27-22(30)26(14-19(28)23(2,3)4)18-12-7-6-10-16(18)21(25-27)17-11-8-9-13-24-17/h6-13H,5,14-15H2,1-4H3