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

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxidanyl-propan-1-one Openeye Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-3-hydroxy-propan-1-one CAS Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-hydroxy-1-propanone IUPAC Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one Traditional Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-3-hydroxy-propan-1-one Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c22-15-6-4-14(5-7-15)20-19(16-8-10-23-13-24-16)21(26-25-20)17-3-1-2-11-27(17)18(29)9-12-28/h4-8,10,13,17,28H,1-3,9,11-12H2,(H,25,26)