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

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cinchoninamide Formula: C30H28BrN3OS MolecularWeight: 558.53182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N

InChI

InChI=1S/C30H28BrN3OS/c1-2-3-7-19-10-12-20(13-11-19)27-17-24(23-16-21(31)14-15-26(23)33-27)29(35)34-30-25(18-32)22-8-5-4-6-9-28(22)36-30/h10-17H,2-9H2,1H3,(H,34,35)