(Z)-but-2-enedioic acid; (6-chloranyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

Systemtic Name: (Z)-but-2-enedioic acid; (6-chloranyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone Openeye Name: (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone; maleic acid CAS Name: (Z)-2-butenedioic acid; (6-chloro-1H-benzimidazol-2-yl)-(4-methyl-1-piperazinyl)methanone IUPAC Name: (Z)-but-2-enedioic acid; (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone Traditional Name: (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazino)methanone; maleic acid Formula: C17H19ClN4O5 MolecularWeight: 394.80956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15ClN4O.C4H4O4/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12;5-3(6)1-2-4(7)8/h2-3,8H,4-7H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-