(E)-but-2-enedioic acid; 2-chloranyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide

Systemtic Name: (E)-but-2-enedioic acid; 2-chloranyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide Openeye Name: 2-chloro-N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-chloro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamide IUPAC Name: (E)-but-2-enedioic acid; 2-chloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide Traditional Name: 2-chloro-N-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]benzamide; fumaric acid Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22ClN3O.C4H4O4/c1-25-10-8-14(9-11-25)18-13-23-20-7-6-15(12-17(18)20)24-21(26)16-4-2-3-5-19(16)22;5-3(6)1-2-4(7)8/h2-7,12-14,23H,8-11H2,1H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+