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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenyl-cinchoninamide Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3OS/c27-16-21-19-12-5-2-6-14-24(19)31-26(21)29-25(30)20-15-23(17-9-3-1-4-10-17)28-22-13-8-7-11-18(20)22/h1,3-4,7-11,13,15H,2,5-6,12,14H2,(H,29,30)