6,7-dimethoxy-N-(2-oxidanylideneazepan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-(2-oxidanylideneazepan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-(2-oxoazepan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-(2-oxo-3-azepanyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-(2-oxoazepan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3CCCCNC3=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3CCCCNC3=O)OC

InChI

InChI=1S/C18H25N3O4/c1-24-15-9-12-6-8-21(11-13(12)10-16(15)25-2)18(23)20-14-5-3-4-7-19-17(14)22/h9-10,14H,3-8,11H2,1-2H3,(H,19,22)(H,20,23)