(E)-but-2-enedioic acid; 6-chloranyl-3-(4-methylpiperazin-1-yl)-1-phenyl-indazole

Systemtic Name: (E)-but-2-enedioic acid; 6-chloranyl-3-(4-methylpiperazin-1-yl)-1-phenyl-indazole Openeye Name: 6-chloro-3-(4-methylpiperazin-1-yl)-1-phenyl-indazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-chloro-3-(4-methyl-1-piperazinyl)-1-phenylindazole IUPAC Name: (E)-but-2-enedioic acid; 6-chloro-3-(4-methylpiperazin-1-yl)-1-phenylindazole Traditional Name: 6-chloro-3-(4-methylpiperazino)-1-phenyl-indazole; fumaric acid Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NN(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19ClN4.C4H4O4/c1-21-9-11-22(12-10-21)18-16-8-7-14(19)13-17(16)23(20-18)15-5-3-2-4-6-15;5-3(6)1-2-4(7)8/h2-8,13H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+