4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-isocyano-phenyl]butan-1-ol

Systemtic Name: 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-isocyano-phenyl]butan-1-ol Openeye Name: 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-isocyano-phenyl]butan-1-ol CAS Name: 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-isocyanophenyl]-1-butanol IUPAC Name: 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)-4-isocyanophenyl]butan-1-ol Traditional Name: 4-(dimethylamino)-1-(4-fluorophenyl)-1-(4-isocyano-2-methylol-phenyl)butan-1-ol Formula: C20H23FN2O2 MolecularWeight: 342.407223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)[N+]#[C-])CO)O

Isomeric SMILES

CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)[N+]#[C-])CO)O

InChI

InChI=1S/C20H23FN2O2/c1-22-18-9-10-19(15(13-18)14-24)20(25,11-4-12-23(2)3)16-5-7-17(21)8-6-16/h5-10,13,24-25H,4,11-12,14H2,2-3H3