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

Systemtic Name: N-[3-[(3-fluoranyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(3-fluoro-4-methyl-anilino)-3-oxo-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-(3-fluoro-4-methyl-anilino)-3-keto-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H26FN3O4 MolecularWeight: 415.457943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)F

InChI

InChI=1S/C22H26FN3O4/c1-14-4-5-17(12-18(14)23)25-21(27)6-8-24-22(28)26-9-7-15-10-19(29-2)20(30-3)11-16(15)13-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,28)(H,25,27)