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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)N2CCC(CC2)C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C(=O)N2CCC(CC2)C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

InChI

InChI=1S/C27H26ClN5O3/c1-36-21-4-2-3-19(15-21)26(34)27(35)33-13-10-18(11-14-33)25-23(22-9-12-29-16-30-22)24(31-32-25)17-5-7-20(28)8-6-17/h2-9,12,15-16,18,26,34H,10-11,13-14H2,1H3,(H,31,32)