4-[1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[[1-[4-(3-fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]piperazine-1-carbaldehyde Formula: C21H21FN6O3 MolecularWeight: 424.428243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C(=O)N4CCN(CC4)C=O

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C(=O)N4CCN(CC4)C=O

InChI

InChI=1S/C21H21FN6O3/c1-14-16(20(30)27-9-7-26(13-29)8-10-27)12-24-28(14)21-23-6-5-18(25-21)15-3-4-19(31-2)17(22)11-15/h3-6,11-13H,7-10H2,1-2H3