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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-methoxy-isoquinolin-1-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-5-methoxy-isoquinolin-1-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-5-methoxy-1-isoquinolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-5-methoxyisoquinolin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-5-methoxy-isocarbostyril Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-23-16-8-6-7-15-14(16)9-12-20(18(15)22)13-17(21)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11,13H2,1H3