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

Systemtic Name: 4-[[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazino]methyl]benzonitrile Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O2/c1-18-15-21(24)8-9-22(18)29-14-2-3-23(28)27-12-10-26(11-13-27)17-20-6-4-19(16-25)5-7-20/h4-9,15H,2-3,10-14,17H2,1H3