4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(3-chlorophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-[4-(3-chlorophenyl)piperazino]butan-1-one Formula: C21H24Cl2N2O2 MolecularWeight: 407.33346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O2/c1-16-14-18(23)7-8-20(16)27-13-3-6-21(26)25-11-9-24(10-12-25)19-5-2-4-17(22)15-19/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3