1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-2-[(5-nitro-2-furyl)methyl]-1H-isoquinoline-4-carboxamide CAS Name: 1-cyclopropyl-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-2-[(5-nitro-2-furanyl)methyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1H-isoquinoline-4-carboxamide Traditional Name: 1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-2-[(5-nitro-2-furyl)methyl]-1H-isoquinoline-4-carboxamide Formula: C23H22N4O6 MolecularWeight: 450.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4CC4)CC5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4CC4)CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6/c1-12-21(13(2)33-25-12)24-23(29)19-11-26(10-16-6-8-20(32-16)27(30)31)22(14-3-4-14)18-9-15(28)5-7-17(18)19/h5-9,11,14,22,28H,3-4,10H2,1-2H3,(H,24,29)