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

Systemtic Name: 2-[2-chloranyl-3-(1-fluoranylpropyl)-5-(4-methylpiperazin-1-yl)phenyl]benzenecarbonitrile Openeye Name: 2-[2-chloro-3-(1-fluoropropyl)-5-(4-methylpiperazin-1-yl)phenyl]benzonitrile CAS Name: 2-[2-chloro-3-(1-fluoropropyl)-5-(4-methyl-1-piperazinyl)phenyl]benzonitrile IUPAC Name: 2-[2-chloro-3-(1-fluoropropyl)-5-(4-methylpiperazin-1-yl)phenyl]benzonitrile Traditional Name: 2-[2-chloro-3-(1-fluoropropyl)-5-(4-methylpiperazino)phenyl]benzonitrile Formula: C21H23ClFN3 MolecularWeight: 371.878823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3/c1-3-20(23)19-13-16(26-10-8-25(2)9-11-26)12-18(21(19)22)17-7-5-4-6-15(17)14-24/h4-7,12-13,20H,3,8-11H2,1-2H3