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

Systemtic Name: 2-chloranyl-3-(2,5-dimethylpiperazin-1-yl)-4-(phenylmethyl)benzenecarbonitrile Openeye Name: 4-benzyl-2-chloro-3-(2,5-dimethylpiperazin-1-yl)benzonitrile CAS Name: 2-chloro-3-(2,5-dimethyl-1-piperazinyl)-4-(phenylmethyl)benzonitrile IUPAC Name: 4-benzyl-2-chloro-3-(2,5-dimethylpiperazin-1-yl)benzonitrile Traditional Name: 4-benzyl-2-chloro-3-(2,5-dimethylpiperazino)benzonitrile Formula: C20H22ClN3 MolecularWeight: 339.86178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=C(C=CC(=C2Cl)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CNC(CN1C2=C(C=CC(=C2Cl)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H22ClN3/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