N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(o-tolyl)cinchoninamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N

InChI

InChI=1S/C27H23N3OS/c1-17-9-5-6-10-18(17)24-15-21(19-11-7-8-13-23(19)29-24)26(31)30-27-22(16-28)20-12-3-2-4-14-25(20)32-27/h5-11,13,15H,2-4,12,14H2,1H3,(H,30,31)