3-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-[4-(phenylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-fluorobenzonitrile Traditional Name: 4-(4-benzylpiperazino)-3-fluoro-benzonitrile Formula: C18H18FN3 MolecularWeight: 295.354023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H18FN3/c19-17-12-16(13-20)6-7-18(17)22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12H,8-11,14H2