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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCN2C=C(C=N2)Cl)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1)C(CCCN2C=C(C=N2)Cl)C3=CC=CC=C3C#N

InChI

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