4-[5-(1-butan-2-ylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[5-(1-butan-2-ylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine Openeye Name: 4-[3-(4-chlorophenyl)-5-(1-sec-butyl-4-piperidyl)-1H-pyrazol-4-yl]pyrimidine CAS Name: 4-[5-(1-butan-2-yl-4-piperidinyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine IUPAC Name: 4-[5-(1-butan-2-ylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine Traditional Name: 4-[3-(4-chlorophenyl)-5-(1-sec-butyl-4-piperidyl)-1H-pyrazol-4-yl]pyrimidine Formula: C22H26ClN5 MolecularWeight: 395.92834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4

Isomeric SMILES

CCC(C)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4

InChI

InChI=1S/C22H26ClN5/c1-3-15(2)28-12-9-17(10-13-28)22-20(19-8-11-24-14-25-19)21(26-27-22)16-4-6-18(23)7-5-16/h4-8,11,14-15,17H,3,9-10,12-13H2,1-2H3,(H,26,27)