1-[(4-chlorophenyl)-phenyl-methyl]-4-[(3-methylphenyl)methyl]piperazine hydrate dihydrochloride

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-[(3-methylphenyl)methyl]piperazine hydrate dihydrochloride Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-(m-tolylmethyl)piperazine hydrate dihydrochloride CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine hydrate dihydrochloride IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine hydrate dihydrochloride Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-(3-methylbenzyl)piperazine hydrate dihydrochloride Formula: C25H31Cl3N2O MolecularWeight: 481.88544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.O.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.O.Cl.Cl

InChI

InChI=1S/C25H27ClN2.2ClH.H2O/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;;/h2-13,18,25H,14-17,19H2,1H3;2*1H;1H2