N-(5-fluoranyl-2-methoxy-phenyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-amine

Systemtic Name: N-(5-fluoranyl-2-methoxy-phenyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-amine Openeye Name: N-(5-fluoro-2-methoxy-phenyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-amine CAS Name: N-(5-fluoro-2-methoxyphenyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-amine IUPAC Name: N-(5-fluoro-2-methoxyphenyl)-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-amine Traditional Name: (5-fluoro-2-methoxy-phenyl)-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)amine Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2C1)[N+](=O)[O-])NC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CN1CCC2=C(C=CC(=C2C1)[N+](=O)[O-])NC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C17H18FN3O3/c1-20-8-7-12-13(10-20)16(21(22)23)5-4-14(12)19-15-9-11(18)3-6-17(15)24-2/h3-6,9,19H,7-8,10H2,1-2H3