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

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)indazole Openeye Name: 1-(4-chlorophenyl)-3-(1-methyl-4-piperidyl)indazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-chlorophenyl)-3-(1-methyl-4-piperidinyl)indazole IUPAC Name: (E)-but-2-enedioic acid; 1-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)indazole Traditional Name: 1-(4-chlorophenyl)-3-(1-methyl-4-piperidyl)indazole; fumaric acid Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H20ClN3.C4H4O4/c1-22-12-10-14(11-13-22)19-17-4-2-3-5-18(17)23(21-19)16-8-6-15(20)7-9-16;5-3(6)1-2-4(7)8/h2-9,14H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+