2-(3-butoxyphenyl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C34H31N3O2S MolecularWeight: 545.69384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)CC)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)CC)C#N

InChI

InChI=1S/C34H31N3O2S/c1-4-6-18-39-26-11-9-10-25(19-26)31-20-28(27-12-7-8-13-30(27)36-31)33(38)37-34-29(21-35)32(22(3)40-34)24-16-14-23(5-2)15-17-24/h7-17,19-20H,4-6,18H2,1-3H3,(H,37,38)