1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)-2-oxidanyl-ethanone

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)-2-oxidanyl-ethanone Openeye Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-2-(4-methoxyphenyl)ethanone CAS Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxy-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxy-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-2-(4-methoxyphenyl)ethanone Formula: C27H26ClN5O3 MolecularWeight: 503.98004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)N2CCCCC2C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)N2CCCCC2C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

InChI

InChI=1S/C27H26ClN5O3/c1-36-20-11-7-18(8-12-20)26(34)27(35)33-15-3-2-4-22(33)25-23(21-13-14-29-16-30-21)24(31-32-25)17-5-9-19(28)10-6-17/h5-14,16,22,26,34H,2-4,15H2,1H3,(H,31,32)