(E)-but-2-enedioic acid; 4-(4-chlorophenyl)-2-piperazin-1-yl-quinoline

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-chlorophenyl)-2-piperazin-1-yl-quinoline Openeye Name: 4-(4-chlorophenyl)-2-piperazin-1-yl-quinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-chlorophenyl)-2-(1-piperazinyl)quinoline IUPAC Name: (E)-but-2-enedioic acid; 4-(4-chlorophenyl)-2-piperazin-1-ylquinoline Traditional Name: 4-(4-chlorophenyl)-2-piperazino-quinoline; fumaric acid Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H18ClN3.C4H4O4/c20-15-7-5-14(6-8-15)17-13-19(23-11-9-21-10-12-23)22-18-4-2-1-3-16(17)18;5-3(6)1-2-4(7)8/h1-8,13,21H,9-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+