N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-fluorophenyl)ethanamine

Systemtic Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-fluorophenyl)ethanamine Openeye Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-fluorophenyl)ethanamine CAS Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-fluorophenyl)ethanamine IUPAC Name: N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-fluorophenyl)ethanamine Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(3-fluorophenyl)ethyl]amine Formula: C20H22FN3 MolecularWeight: 323.407183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CNCCC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CNCCC3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H22FN3/c1-14-6-7-17(10-15(14)2)20-18(13-23-24-20)12-22-9-8-16-4-3-5-19(21)11-16/h3-7,10-11,13,22H,8-9,12H2,1-2H3,(H,23,24)