2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine

Systemtic Name: 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine Openeye Name: 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine CAS Name: 2-[4-[4-(4-chlorophenyl)-1-pyrazolyl]-1-(1-piperazinyl)butyl]pyrimidine IUPAC Name: 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-1-piperazin-1-ylbutyl]pyrimidine Traditional Name: 2-[4-[4-(4-chlorophenyl)pyrazol-1-yl]-1-piperazino-butyl]pyrimidine Formula: C21H25ClN6 MolecularWeight: 396.9164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCN2C=C(C=N2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1)C(CCCN2C=C(C=N2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H25ClN6/c22-19-6-4-17(5-7-19)18-15-26-28(16-18)12-1-3-20(21-24-8-2-9-25-21)27-13-10-23-11-14-27/h2,4-9,15-16,20,23H,1,3,10-14H2