N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-2-phenyl-cinchoninamide Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCCCC5)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCCCC5)C#N

InChI

InChI=1S/C28H25N3OS/c1-18-25(21-14-9-10-15-23(21)30-26(18)19-11-5-4-6-12-19)27(32)31-28-22(17-29)20-13-7-2-3-8-16-24(20)33-28/h4-6,9-12,14-15H,2-3,7-8,13,16H2,1H3,(H,31,32)