7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-6-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: 7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-6-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 6-hydroxy-7-methoxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 6-hydroxy-7-methoxy-2-[(5-nitro-2-furanyl)methyl]-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 6-hydroxy-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 6-hydroxy-7-methoxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC=C(O4)[N+](=O)[O-])C5=CC=CS5)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=CC=C(O4)[N+](=O)[O-])C5=CC=CS5)O

InChI

InChI=1S/C26H21N3O6S/c1-34-22-13-19-18(12-21(22)30)20(26(31)27-16-6-3-2-4-7-16)15-28(25(19)23-8-5-11-36-23)14-17-9-10-24(35-17)29(32)33/h2-13,15,25,30H,14H2,1H3,(H,27,31)