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

Systemtic Name: 2-(4-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cinchoninamide Formula: C26H20BrN3OS MolecularWeight: 502.4255

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrN3OS/c27-17-12-10-16(11-13-17)23-14-20(18-6-4-5-8-22(18)29-23)25(31)30-26-21(15-28)19-7-2-1-3-9-24(19)32-26/h4-6,8,10-14H,1-3,7,9H2,(H,30,31)