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

Systemtic Name: ethyl 2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-cyclohexyl-1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-cyclohexyl-2-keto-1-[2-keto-2-(o-tolyl)ethyl]-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O4/c1-3-34-25(32)18-30-27(33)29(17-24(31)21-14-8-7-11-19(21)2)23-16-10-9-15-22(23)26(28-30)20-12-5-4-6-13-20/h7-11,14-16,20H,3-6,12-13,17-18H2,1-2H3