N-[(4-ethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethanamine

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethanamine Openeye Name: N-[(4-ethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethanamine CAS Name: N-[(4-ethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methyl-4-pyrazolyl]ethanamine IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine Traditional Name: (4-ethoxybenzyl)-[1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]amine Formula: C21H24FN3O MolecularWeight: 353.433163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(C)C2=C(N(N=C2)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(C)C2=C(N(N=C2)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H24FN3O/c1-4-26-20-10-8-17(9-11-20)13-23-15(2)21-14-24-25(16(21)3)19-7-5-6-18(22)12-19/h5-12,14-15,23H,4,13H2,1-3H3