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

Systemtic Name: (Z)-but-2-enedioic acid; N-[(4-chlorophenyl)-phenyl-methyl]-2-(4-methylpiperazin-1-yl)ethanamine Openeye Name: N-[(4-chlorophenyl)-phenyl-methyl]-2-(4-methylpiperazin-1-yl)ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-[(4-chlorophenyl)-phenylmethyl]-2-(4-methyl-1-piperazinyl)ethanamine IUPAC Name: (Z)-but-2-enedioic acid; N-[(4-chlorophenyl)-phenylmethyl]-2-(4-methylpiperazin-1-yl)ethanamine Traditional Name: [(4-chlorophenyl)-phenyl-methyl]-[2-(4-methylpiperazino)ethyl]amine; maleic acid Formula: C32H38ClN3O12 MolecularWeight: 692.11002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCNC(C2=CC=C(C=C2)Cl)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26ClN3.3C4H4O4/c1-23-13-15-24(16-14-23)12-11-22-20(17-5-3-2-4-6-17)18-7-9-19(21)10-8-18;3*5-3(6)1-2-4(7)8/h2-10,20,22H,11-16H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1-