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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(2-hydroxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(2-hydroxyphenyl)piperazino]butan-1-one Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3O)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-16-15-17(8-9-18(16)22)27-14-4-7-21(26)24-12-10-23(11-13-24)19-5-2-3-6-20(19)25/h2-3,5-6,8-9,15,25H,4,7,10-14H2,1H3