(Z)-but-2-enedioic acid; N-[(4-chlorophenyl)-phenyl-methyl]-N-methyl-2-[4-(phenylmethyl)piperazin-1-yl]ethanamine

Systemtic Name: (Z)-but-2-enedioic acid; N-[(4-chlorophenyl)-phenyl-methyl]-N-methyl-2-[4-(phenylmethyl)piperazin-1-yl]ethanamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)-phenyl-methyl]-N-methyl-ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-[(4-chlorophenyl)-phenylmethyl]-N-methyl-2-[4-(phenylmethyl)-1-piperazinyl]ethanamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)-phenylmethyl]-N-methylethanamine; (Z)-but-2-enedioic acid Traditional Name: 2-(4-benzylpiperazino)ethyl-[(4-chlorophenyl)-phenyl-methyl]-methyl-amine; maleic acid Formula: C35H40ClN3O8 MolecularWeight: 666.1604

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C(C1=CC=C(C=C1)Cl)C2=CC=CC=C2)CCN3CCN(CC3)CC4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C27H32ClN3.2C4H4O4/c1-29(27(24-10-6-3-7-11-24)25-12-14-26(28)15-13-25)16-17-30-18-20-31(21-19-30)22-23-8-4-2-5-9-23;2*5-3(6)1-2-4(7)8/h2-15,27H,16-22H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-