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

Systemtic Name: ethyl 2-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-(2-pyridinyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-(2-pyridyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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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)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)CC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C26H24N4O4/c1-3-34-24(32)17-30-26(33)29(16-23(31)19-11-5-4-10-18(19)2)22-14-7-6-12-20(22)25(28-30)21-13-8-9-15-27-21/h4-15H,3,16-17H2,1-2H3