N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-8-nitro-isoquinolin-5-amine Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-8-nitro-isoquinolin-5-amine CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-8-nitro-5-isoquinolinamine IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-8-nitroisoquinolin-5-amine Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-(8-nitro-5-isoquinolyl)amine Formula: C17H13ClFN3O2 MolecularWeight: 345.755423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClFN3O2/c1-21(10-13-14(18)3-2-4-15(13)19)16-5-6-17(22(23)24)12-9-20-8-7-11(12)16/h2-9H,10H2,1H3