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

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-cinchoninamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2S/c1-18-26(28(33)32-29-23(17-30)21-9-5-3-4-6-12-25(21)35-29)22-10-7-8-11-24(22)31-27(18)19-13-15-20(34-2)16-14-19/h7-8,10-11,13-16H,3-6,9,12H2,1-2H3,(H,32,33)