2-[2-chloranyl-5-(4-ethylpiperazin-1-yl)-3-(1-fluoranylpropyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[2-chloranyl-5-(4-ethylpiperazin-1-yl)-3-(1-fluoranylpropyl)phenyl]benzenecarbonitrile Openeye Name: 2-[2-chloro-5-(4-ethylpiperazin-1-yl)-3-(1-fluoropropyl)phenyl]benzonitrile CAS Name: 2-[2-chloro-5-(4-ethyl-1-piperazinyl)-3-(1-fluoropropyl)phenyl]benzonitrile IUPAC Name: 2-[2-chloro-5-(4-ethylpiperazin-1-yl)-3-(1-fluoropropyl)phenyl]benzonitrile Traditional Name: 2-[2-chloro-5-(4-ethylpiperazino)-3-(1-fluoropropyl)phenyl]benzonitrile Formula: C22H25ClFN3 MolecularWeight: 385.905403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC(=C1)N2CCN(CC2)CC)C3=CC=CC=C3C#N)Cl)F

Isomeric SMILES

CCC(C1=C(C(=CC(=C1)N2CCN(CC2)CC)C3=CC=CC=C3C#N)Cl)F

InChI

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