8-fluoranyl-7-methoxy-2-(2-methoxyethyl)-1-oxidanylidene-N-(4-pyrrol-1-ylphenyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 8-fluoranyl-7-methoxy-2-(2-methoxyethyl)-1-oxidanylidene-N-(4-pyrrol-1-ylphenyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 8-fluoro-7-methoxy-2-(2-methoxyethyl)-1-oxo-N-(4-pyrrol-1-ylphenyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 8-fluoro-7-methoxy-2-(2-methoxyethyl)-1-oxo-N-[4-(1-pyrrolyl)phenyl]-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 8-fluoro-7-methoxy-2-(2-methoxyethyl)-1-oxo-N-(4-pyrrol-1-ylphenyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 8-fluoro-1-keto-7-methoxy-2-(2-methoxyethyl)-N-(4-pyrrol-1-ylphenyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H26FN3O4S MolecularWeight: 519.587143

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=C(C1=O)C(=C(C=C2)OC)F)C(=O)NC3=CC=C(C=C3)N4C=CC=C4)C5=CC=CS5

Isomeric SMILES

COCCN1C(C(C2=C(C1=O)C(=C(C=C2)OC)F)C(=O)NC3=CC=C(C=C3)N4C=CC=C4)C5=CC=CS5

InChI

InChI=1S/C28H26FN3O4S/c1-35-16-15-32-26(22-6-5-17-37-22)24(20-11-12-21(36-2)25(29)23(20)28(32)34)27(33)30-18-7-9-19(10-8-18)31-13-3-4-14-31/h3-14,17,24,26H,15-16H2,1-2H3,(H,30,33)