N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-(2-fluorophenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H36FN3O4 MolecularWeight: 497.601543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3)C4=CC=CC=C4F

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCCCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C28H36FN3O4/c1-31-26(19-11-6-7-12-22(19)29)25(20-17-23(35-2)24(36-3)18-21(20)28(31)34)27(33)30-13-10-16-32-14-8-4-5-9-15-32/h6-7,11-12,17-18,25-26H,4-5,8-10,13-16H2,1-3H3,(H,30,33)