1,4-diphenyl-2-[4-(phenylmethyl)piperazin-1-yl]butane-1,4-dione hydrochloride

Systemtic Name: 1,4-diphenyl-2-[4-(phenylmethyl)piperazin-1-yl]butane-1,4-dione hydrochloride Openeye Name: 2-(4-benzylpiperazin-1-yl)-1,4-diphenyl-butane-1,4-dione hydrochloride CAS Name: 1,4-diphenyl-2-[4-(phenylmethyl)-1-piperazinyl]butane-1,4-dione hydrochloride IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1,4-diphenylbutane-1,4-dione hydrochloride Traditional Name: 2-(4-benzylpiperazino)-1,4-diphenyl-butane-1,4-dione hydrochloride Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H28N2O2.ClH/c30-26(23-12-6-2-7-13-23)20-25(27(31)24-14-8-3-9-15-24)29-18-16-28(17-19-29)21-22-10-4-1-5-11-22;/h1-15,25H,16-21H2;1H