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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(4-chloro-3-methyl-phenoxy)butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(4-chloro-3-methylphenoxy)butan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-4-(4-chloro-3-methyl-phenoxy)butan-1-one Formula: C28H31ClN2O2 MolecularWeight: 463.01094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H31ClN2O2/c1-22-21-25(14-15-26(22)29)33-20-8-13-27(32)30-16-18-31(19-17-30)28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-15,21,28H,8,13,16-20H2,1H3