2-[2-chloranyl-4-ethyl-6-[4-(1-fluoranylpropyl)phenyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-chloranyl-4-ethyl-6-[4-(1-fluoranylpropyl)phenyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[2-chloro-4-ethyl-6-[4-(1-fluoropropyl)phenyl]piperazin-1-yl]benzonitrile CAS Name: 2-[2-chloro-4-ethyl-6-[4-(1-fluoropropyl)phenyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[2-chloro-4-ethyl-6-[4-(1-fluoropropyl)phenyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[2-chloro-4-ethyl-6-[4-(1-fluoropropyl)phenyl]piperazino]benzonitrile Formula: C22H25ClFN3 MolecularWeight: 385.905403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C2CN(CC(N2C3=CC=CC=C3C#N)Cl)CC)F

Isomeric SMILES

CCC(C1=CC=C(C=C1)C2CN(CC(N2C3=CC=CC=C3C#N)Cl)CC)F

InChI

InChI=1S/C22H25ClFN3/c1-3-19(24)16-9-11-17(12-10-16)21-14-26(4-2)15-22(23)27(21)20-8-6-5-7-18(20)13-25/h5-12,19,21-22H,3-4,14-15H2,1-2H3