4-[4-(4-chloranylpyrazol-1-yl)butyl]-5-phenylmethoxy-2-piperazin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-chloranylpyrazol-1-yl)butyl]-5-phenylmethoxy-2-piperazin-1-yl-pyrimidine Openeye Name: 5-benzyloxy-4-[4-(4-chloropyrazol-1-yl)butyl]-2-piperazin-1-yl-pyrimidine CAS Name: 4-[4-(4-chloro-1-pyrazolyl)butyl]-5-phenylmethoxy-2-(1-piperazinyl)pyrimidine IUPAC Name: 4-[4-(4-chloropyrazol-1-yl)butyl]-5-phenylmethoxy-2-piperazin-1-ylpyrimidine Traditional Name: 5-benzoxy-4-[4-(4-chloropyrazol-1-yl)butyl]-2-piperazino-pyrimidine Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C(=N2)CCCCN3C=C(C=N3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C(=N2)CCCCN3C=C(C=N3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27ClN6O/c23-19-14-26-29(16-19)11-5-4-8-20-21(30-17-18-6-2-1-3-7-18)15-25-22(27-20)28-12-9-24-10-13-28/h1-3,6-7,14-16,24H,4-5,8-13,17H2