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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C25H37N3O4/c1-18(2)16-28-17-21(19-14-22(31-3)23(32-4)15-20(19)25(28)30)24(29)26-10-9-13-27-11-7-5-6-8-12-27/h14-15,17-18H,5-13,16H2,1-4H3,(H,26,29)