2-(azepan-3-ylmethyl)-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 2-(azepan-3-ylmethyl)-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 2-(azepan-3-ylmethyl)-6,7-dimethoxy-isoquinolin-1-one CAS Name: 2-(3-azepanylmethyl)-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 2-(azepan-3-ylmethyl)-6,7-dimethoxyisoquinolin-1-one Traditional Name: 2-(azepan-3-ylmethyl)-6,7-dimethoxy-isocarbostyril Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2=O)CC3CCCCNC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2=O)CC3CCCCNC3)OC

InChI

InChI=1S/C18H24N2O3/c1-22-16-9-14-6-8-20(12-13-5-3-4-7-19-11-13)18(21)15(14)10-17(16)23-2/h6,8-10,13,19H,3-5,7,11-12H2,1-2H3