N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Openeye Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(5-methyl-2-furyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butylphenyl)-3-cyano-2-thiophenyl]-2-(5-methyl-2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butylphenyl)-3-cyanothiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Traditional Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(5-methyl-2-furyl)cinchoninamide Formula: C30H25N3O2S MolecularWeight: 491.6034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C

InChI

InChI=1S/C30H25N3O2S/c1-3-4-7-20-11-13-21(14-12-20)25-18-36-30(24(25)17-31)33-29(34)23-16-27(28-15-10-19(2)35-28)32-26-9-6-5-8-22(23)26/h5-6,8-16,18H,3-4,7H2,1-2H3,(H,33,34)