(E)-but-2-enedioic acid; 2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]aniline

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]aniline Openeye Name: fumaric acid; 2-[3-(1-methyl-4-piperidyl)indazol-1-yl]aniline CAS Name: (E)-2-butenedioic acid; 2-[3-(1-methyl-4-piperidinyl)-1-indazolyl]aniline IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]aniline Traditional Name: fumaric acid; [2-[3-(1-methyl-4-piperidyl)indazol-1-yl]phenyl]amine Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N4.C4H4O4/c1-22-12-10-14(11-13-22)19-15-6-2-4-8-17(15)23(21-19)18-9-5-3-7-16(18)20;5-3(6)1-2-4(7)8/h2-9,14H,10-13,20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+