N-(3-methoxyphenyl)-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrimidin-2-amine

Systemtic Name: N-(3-methoxyphenyl)-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrimidin-2-amine Openeye Name: N-(3-methoxyphenyl)-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrimidin-2-amine CAS Name: N-(3-methoxyphenyl)-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrimidin-2-amine Traditional Name: (3-methoxyphenyl)-[4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N5O/c1-30-16-4-2-3-15(11-16)27-20-25-10-9-18(28-20)17-12-26-29-19(17)13-5-7-14(8-6-13)21(22,23)24/h2-12H,1H3,(H,26,29)(H,25,27,28)