2-[4-[4-(4-chloranylpyrazol-1-yl)butyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[4-(4-chloranylpyrazol-1-yl)butyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[4-(4-chloro-1-pyrazolyl)butyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazino]benzonitrile Formula: C18H22ClN5 MolecularWeight: 343.85378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H22ClN5/c19-17-14-21-24(15-17)8-4-3-7-22-9-11-23(12-10-22)18-6-2-1-5-16(18)13-20/h1-2,5-6,14-15H,3-4,7-12H2