N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-8-nitro-isoquinolin-5-amine Openeye Name: N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-8-nitro-isoquinolin-5-amine CAS Name: N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-8-nitro-5-isoquinolinamine IUPAC Name: N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-8-nitroisoquinolin-5-amine Traditional Name: 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methyl-(8-nitro-5-isoquinolyl)amine Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20FN5O2/c1-27(21-8-9-22(28(29)30)19-14-24-11-10-18(19)21)12-2-3-17-13-20(26-25-17)15-4-6-16(23)7-5-15/h4-11,13-14H,2-3,12H2,1H3,(H,25,26)