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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C29H18FN3O3S MolecularWeight: 507.534923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H18FN3O3S/c1-16-27(17-6-9-19(30)10-7-17)22(14-31)29(37-16)33-28(34)21-13-24(32-23-5-3-2-4-20(21)23)18-8-11-25-26(12-18)36-15-35-25/h2-13H,15H2,1H3,(H,33,34)