4-[[4-[2-(4-chloranyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-chloranyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazino]methyl]benzonitrile Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24ClN3O2/c1-16-13-20(23)7-8-21(16)28-17(2)22(27)26-11-9-25(10-12-26)15-19-5-3-18(14-24)4-6-19/h3-8,13,17H,9-12,15H2,1-2H3