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

Systemtic Name: ethyl 2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-(5-cyclohexyl-1-isopentyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-(5-cyclohexyl-1-isoamyl-2-keto-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-4-29-21(27)16-26-23(28)25(15-14-17(2)3)20-13-9-8-12-19(20)22(24-26)18-10-6-5-7-11-18/h8-9,12-13,17-18H,4-7,10-11,14-16H2,1-3H3