N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methoxy-pyrimidin-2-amine

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methoxy-pyrimidin-2-amine Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methoxy-pyrimidin-2-amine CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-methoxy-2-pyrimidinamine IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxypyrimidin-2-amine Traditional Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(4-methoxypyrimidin-2-yl)amine Formula: C21H18FN5O MolecularWeight: 375.398923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

COC1=NC(=NC=C1)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN5O/c1-28-19-11-12-23-21(25-19)24-13-16-14-27(18-5-3-2-4-6-18)26-20(16)15-7-9-17(22)10-8-15/h2-12,14H,13H2,1H3,(H,23,24,25)