N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrimidin-4-yl-ethanamine

Systemtic Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrimidin-4-yl-ethanamine Openeye Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrimidin-4-yl-ethanamine CAS Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-1-(4-pyrimidinyl)ethanamine IUPAC Name: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine Traditional Name: [3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl-[1-(4-pyrimidyl)ethyl]amine Formula: C22H19ClFN5 MolecularWeight: 407.871163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C1=NC=NC=C1)NCC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19ClFN5/c1-15(21-10-11-25-14-27-21)26-12-16-13-29(18-8-6-17(24)7-9-18)28-22(16)19-4-2-3-5-20(19)23/h2-11,13-15,26H,12H2,1H3