2-(3-butoxyphenyl)-7-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(3-butoxyphenyl)-7-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C30H28ClN3O2S MolecularWeight: 530.08022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C30H28ClN3O2S/c1-3-4-14-36-20-9-7-8-19(15-20)26-16-23(22-12-13-25(31)18(2)28(22)33-26)29(35)34-30-24(17-32)21-10-5-6-11-27(21)37-30/h7-9,12-13,15-16H,3-6,10-11,14H2,1-2H3,(H,34,35)