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

Systemtic Name: ethyl 2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-cyclohexyl-1-(2-cyclopentyl-2-keto-ethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C4CCCC4

InChI

InChI=1S/C25H33N3O4/c1-2-32-23(30)17-28-25(31)27(16-22(29)18-10-6-7-11-18)21-15-9-8-14-20(21)24(26-28)19-12-4-3-5-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3