(Z)-but-2-enedioate; N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methyl-benzamide

Systemtic Name: (Z)-but-2-enedioate; N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methyl-benzamide Openeye Name: (Z)-but-2-enedioate; N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methyl-benzamide CAS Name: (Z)-2-butenedioate; N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methylbenzamide IUPAC Name: (Z)-but-2-enedioate; N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(2-cyanophenyl)piperazino]methyl]-3-methyl-benzamide maleate Formula: C24H24N4O5-2 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C20H22N4O.C4H4O4/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,15H2,1H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-