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

Systemtic Name: N-[3-[(3-fluorophenyl)amino]-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(3-fluoroanilino)-3-oxo-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-(3-fluoroanilino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(3-fluoroanilino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-(3-fluoroanilino)-3-keto-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C21H24FN3O4/c1-28-18-10-14-7-9-25(13-15(14)11-19(18)29-2)21(27)23-8-6-20(26)24-17-5-3-4-16(22)12-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,27)(H,24,26)