1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]ethanone Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4

InChI

InChI=1S/C20H20ClN5O/c1-13(27)26-10-7-15(8-11-26)20-18(17-6-9-22-12-23-17)19(24-25-20)14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,24,25)