6-azanyl-5-bromanyl-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methoxy-pyridine-3-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: 6-azanyl-5-bromanyl-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methoxy-pyridine-3-carboxamide; (E)-but-2-enedioic acid Openeye Name: 6-amino-5-bromo-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-2-methoxy-pyridine-3-carboxamide; fumaric acid CAS Name: 6-amino-5-bromo-2-methoxy-N-[1-[[1-(1-oxobut-2-ynyl)-4-piperidinyl]methyl]-4-piperidinyl]-3-pyridinecarboxamide; (E)-2-butenedioic acid IUPAC Name: 6-amino-5-bromo-N-[1-[(1-but-2-ynoylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methoxypyridine-3-carboxamide; (E)-but-2-enedioic acid Traditional Name: 6-amino-5-bromo-N-[1-[(1-but-2-ynoyl-4-piperidyl)methyl]-4-piperidyl]-2-methoxy-nicotinamide; fumaric acid Formula: C26H34BrN5O7 MolecularWeight: 608.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)CN2CCC(CC2)NC(=O)C3=CC(=C(N=C3OC)N)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)CN2CCC(CC2)NC(=O)C3=CC(=C(N=C3OC)N)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H30BrN5O3.C4H4O4/c1-3-4-19(29)28-11-5-15(6-12-28)14-27-9-7-16(8-10-27)25-21(30)17-13-18(23)20(24)26-22(17)31-2;5-3(6)1-2-4(7)8/h13,15-16H,5-12,14H2,1-2H3,(H2,24,26)(H,25,30);1-2H,(H,5,6)(H,7,8)/b;2-1+