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

Systemtic Name: ethyl 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxo-ethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-cyclohexyl-1-(2-cyclohexyl-2-keto-ethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C4CCCCC4

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)CC(=O)C4CCCCC4

InChI

InChI=1S/C26H35N3O4/c1-2-33-24(31)18-29-26(32)28(17-23(30)19-11-5-3-6-12-19)22-16-10-9-15-21(22)25(27-29)20-13-7-4-8-14-20/h9-10,15-16,19-20H,2-8,11-14,17-18H2,1H3