5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-prop-2-enyl-isoquinolin-1-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-prop-2-enyl-isoquinolin-1-one Openeye Name: 2-allyl-5-[2-(azepan-1-yl)-2-oxo-ethoxy]isoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-prop-2-enyl-1-isoquinolinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-prop-2-enylisoquinolin-1-one Traditional Name: 2-allyl-5-[2-(azepan-1-yl)-2-keto-ethoxy]isocarbostyril Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

Isomeric SMILES

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O3/c1-2-11-22-14-10-16-17(20(22)24)8-7-9-18(16)25-15-19(23)21-12-5-3-4-6-13-21/h2,7-10,14H,1,3-6,11-13,15H2