1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-oxidanyl-propan-1-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)C(CC5=CC=C(C=C5)O)O

Isomeric SMILES

C1CCN(C(C1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)C(CC5=CC=C(C=C5)O)O

InChI

InChI=1S/C27H26ClN5O3/c28-19-8-6-18(7-9-19)25-24(21-12-13-29-16-30-21)26(32-31-25)22-3-1-2-14-33(22)27(36)23(35)15-17-4-10-20(34)11-5-17/h4-13,16,22-23,34-35H,1-3,14-15H2,(H,31,32)