ethyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-(azepan-1-yl)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(1-azepanyl)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(azepan-1-yl)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5/c1-2-27-20(25)15-28-18-9-7-8-17-16(18)10-13-23(21(17)26)14-19(24)22-11-5-3-4-6-12-22/h7-10,13H,2-6,11-12,14-15H2,1H3