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

Systemtic Name: 7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-6-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 6-hydroxy-7-methoxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 6-hydroxy-7-methoxy-2-[(5-nitro-2-furanyl)methyl]-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 6-hydroxy-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 6-hydroxy-7-methoxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C33H32N4O6 MolecularWeight: 580.63038

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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=C(C=C5)CN6CCCC6)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=C(C=C5)CN6CCCC6)O

InChI

InChI=1S/C33H32N4O6/c1-42-30-18-27-26(17-29(30)38)28(33(39)34-24-7-3-2-4-8-24)21-36(20-25-13-14-31(43-25)37(40)41)32(27)23-11-9-22(10-12-23)19-35-15-5-6-16-35/h2-4,7-14,17-18,21,32,38H,5-6,15-16,19-20H2,1H3,(H,34,39)