3-(2,5-dimethylpiperazin-1-yl)-2-fluoranyl-4-(phenylmethyl)benzenecarbonitrile

Systemtic Name: 3-(2,5-dimethylpiperazin-1-yl)-2-fluoranyl-4-(phenylmethyl)benzenecarbonitrile Openeye Name: 4-benzyl-3-(2,5-dimethylpiperazin-1-yl)-2-fluoro-benzonitrile CAS Name: 3-(2,5-dimethyl-1-piperazinyl)-2-fluoro-4-(phenylmethyl)benzonitrile IUPAC Name: 4-benzyl-3-(2,5-dimethylpiperazin-1-yl)-2-fluorobenzonitrile Traditional Name: 4-benzyl-3-(2,5-dimethylpiperazino)-2-fluoro-benzonitrile Formula: C20H22FN3 MolecularWeight: 323.407183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=C(C=CC(=C2F)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CNC(CN1C2=C(C=CC(=C2F)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H22FN3/c1-14-13-24(15(2)12-23-14)20-17(8-9-18(11-22)19(20)21)10-16-6-4-3-5-7-16/h3-9,14-15,23H,10,12-13H2,1-2H3