2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methyl-cinchoninamide Formula: C26H21FN2O3 MolecularWeight: 428.454943

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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)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21FN2O3/c1-16-2-8-22-20(12-16)21(26(30)28-11-10-17-3-6-19(27)7-4-17)14-23(29-22)18-5-9-24-25(13-18)32-15-31-24/h2-9,12-14H,10-11,15H2,1H3,(H,28,30)