N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H26FN3O4/c1-29-19-11-16-8-10-26(14-17(16)12-20(19)30-2)22(28)24-9-7-21(27)25-13-15-3-5-18(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,28)(H,25,27)