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

Systemtic Name: 1-methyl-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1H-isoquinoline-4-carboxamide CAS Name: 7-hydroxy-1-methyl-2-[(5-nitro-2-furanyl)methyl]-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 7-hydroxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1H-isoquinoline-4-carboxamide Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-14-19-11-16(26)7-9-18(19)20(22(27)23-15-5-3-2-4-6-15)13-24(14)12-17-8-10-21(30-17)25(28)29/h2-11,13-14,26H,12H2,1H3,(H,23,27)