N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-homoveratryl-6-methyl-cinchoninamide Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN2O3/c1-17-4-10-23-21(14-17)22(16-24(30-23)19-6-8-20(28)9-7-19)27(31)29-13-12-18-5-11-25(32-2)26(15-18)33-3/h4-11,14-16H,12-13H2,1-3H3,(H,29,31)