(E)-but-2-enedioic acid; 1-(2-chlorophenyl)-3-piperidin-4-yl-indazole

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-chlorophenyl)-3-piperidin-4-yl-indazole Openeye Name: 1-(2-chlorophenyl)-3-(4-piperidyl)indazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-chlorophenyl)-3-(4-piperidinyl)indazole IUPAC Name: (E)-but-2-enedioic acid; 1-(2-chlorophenyl)-3-piperidin-4-ylindazole Traditional Name: 1-(2-chlorophenyl)-3-(4-piperidyl)indazole; fumaric acid Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NN(C3=CC=CC=C32)C4=CC=CC=C4Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1C2=NN(C3=CC=CC=C32)C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18ClN3.C4H4O4/c19-15-6-2-4-8-17(15)22-16-7-3-1-5-14(16)18(21-22)13-9-11-20-12-10-13;5-3(6)1-2-4(7)8/h1-8,13,20H,9-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+