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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1CCN(CC1)C2=CC=CC=C2C#N)N3C=C(C=N3)Cl

Isomeric SMILES

CCCC(N1CCN(CC1)C2=CC=CC=C2C#N)N3C=C(C=N3)Cl

InChI

InChI=1S/C18H22ClN5/c1-2-5-18(24-14-16(19)13-21-24)23-10-8-22(9-11-23)17-7-4-3-6-15(17)12-20/h3-4,6-7,13-14,18H,2,5,8-11H2,1H3