6-methoxy-2-methyl-4-phenyl-N-(4-thiophen-2-ylbutanoyl)-1H-isoquinoline-3-carboxamide

Systemtic Name: 6-methoxy-2-methyl-4-phenyl-N-(4-thiophen-2-ylbutanoyl)-1H-isoquinoline-3-carboxamide Openeye Name: 6-methoxy-2-methyl-4-phenyl-N-[4-(2-thienyl)butanoyl]-1H-isoquinoline-3-carboxamide CAS Name: 6-methoxy-2-methyl-N-(1-oxo-4-thiophen-2-ylbutyl)-4-phenyl-1H-isoquinoline-3-carboxamide IUPAC Name: 6-methoxy-2-methyl-4-phenyl-N-(4-thiophen-2-ylbutanoyl)-1H-isoquinoline-3-carboxamide Traditional Name: 6-methoxy-2-methyl-4-phenyl-N-[4-(2-thienyl)butanoyl]-1H-isoquinoline-3-carboxamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CCCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CCCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c1-28-17-19-13-14-20(31-2)16-22(19)24(18-8-4-3-5-9-18)25(28)26(30)27-23(29)12-6-10-21-11-7-15-32-21/h3-5,7-9,11,13-16H,6,10,12,17H2,1-2H3,(H,27,29,30)