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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=C(C=N3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=C(C=N3)OCC4=CC=CC=C4

InChI

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