2-bromanyl-N-[2-[3-(dimethylamino)propyl-phenyl-amino]pyridin-3-yl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 2-bromanyl-N-[2-[3-(dimethylamino)propyl-phenyl-amino]pyridin-3-yl]benzamide; (E)-but-2-enedioic acid Openeye Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridyl]benzamide; fumaric acid CAS Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridinyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]pyridin-3-yl]benzamide; (E)-but-2-enedioic acid Traditional Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridyl]benzamide; fumaric acid Formula: C27H29BrN4O5 MolecularWeight: 569.44696

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1)C2=C(C=CC=N2)NC(=O)C3=CC=CC=C3Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1)C2=C(C=CC=N2)NC(=O)C3=CC=CC=C3Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H25BrN4O.C4H4O4/c1-27(2)16-9-17-28(18-10-4-3-5-11-18)22-21(14-8-15-25-22)26-23(29)19-12-6-7-13-20(19)24;5-3(6)1-2-4(7)8/h3-8,10-15H,9,16-17H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1+