4-[[4-[(4-azanyl-5-bromanyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]methyl]-N-methyl-piperidine-1-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: 4-[[4-[(4-azanyl-5-bromanyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]methyl]-N-methyl-piperidine-1-carboxamide; (E)-but-2-enedioic acid Openeye Name: 4-[[4-[(4-amino-5-bromo-2-methoxy-benzoyl)amino]-1-piperidyl]methyl]-N-methyl-piperidine-1-carboxamide; fumaric acid CAS Name: 4-[[4-[[(4-amino-5-bromo-2-methoxyphenyl)-oxomethyl]amino]-1-piperidinyl]methyl]-N-methyl-1-piperidinecarboxamide; (E)-2-butenedioic acid IUPAC Name: 4-[[4-[(4-amino-5-bromo-2-methoxybenzoyl)amino]piperidin-1-yl]methyl]-N-methylpiperidine-1-carboxamide; (E)-but-2-enedioic acid Traditional Name: 4-[[4-[(4-amino-5-bromo-2-methoxy-benzoyl)amino]piperidino]methyl]-N-methyl-piperidine-1-carboxamide; fumaric acid Formula: C25H36BrN5O7 MolecularWeight: 598.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32BrN5O3.C4H4O4/c1-24-21(29)27-9-3-14(4-10-27)13-26-7-5-15(6-8-26)25-20(28)16-11-17(22)18(23)12-19(16)30-2;5-3(6)1-2-4(7)8/h11-12,14-15H,3-10,13,23H2,1-2H3,(H,24,29)(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+