N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-8-nitro-isoquinolin-5-amine Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-8-nitro-isoquinolin-5-amine CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-8-nitro-5-isoquinolinamine IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-8-nitroisoquinolin-5-amine Traditional Name: (3-fluoro-4-methoxy-benzyl)-methyl-(8-nitro-5-isoquinolyl)amine Formula: C18H16FN3O3 MolecularWeight: 341.336343

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O3/c1-21(11-12-3-6-18(25-2)15(19)9-12)16-4-5-17(22(23)24)14-10-20-8-7-13(14)16/h3-10H,11H2,1-2H3