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

Systemtic Name: 2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 7-hydroxy-2-[(5-nitro-2-furanyl)methyl]-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 7-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C32H30N4O5 MolecularWeight: 550.6044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C(=CN3CC5=CC=C(O5)[N+](=O)[O-])C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C(=CN3CC5=CC=C(O5)[N+](=O)[O-])C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C32H30N4O5/c37-25-12-14-27-28(18-25)31(23-10-8-22(9-11-23)19-34-16-4-5-17-34)35(20-26-13-15-30(41-26)36(39)40)21-29(27)32(38)33-24-6-2-1-3-7-24/h1-3,6-15,18,21,31,37H,4-5,16-17,19-20H2,(H,33,38)