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

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)-2-oxidanyl-ethanone Openeye Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-2-(3-methoxyphenyl)ethanone CAS Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxy-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxy-2-(3-methoxyphenyl)ethanone Traditional Name: 1-[2-[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)N2CCCCC2C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN5O3/c1-36-20-6-4-5-18(15-20)26(34)27(35)33-14-3-2-7-22(33)25-23(21-12-13-29-16-30-21)24(31-32-25)17-8-10-19(28)11-9-17/h4-6,8-13,15-16,22,26,34H,2-3,7,14H2,1H3,(H,31,32)