N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-ethyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C23H33N3O4/c1-4-26-16-19(17-14-20(29-2)21(30-3)15-18(17)23(26)28)22(27)24-10-9-13-25-11-7-5-6-8-12-25/h14-16H,4-13H2,1-3H3,(H,24,27)