2-bromanyl-N-[2-[3-(dimethylamino)propyl-phenyl-amino]pyridin-3-yl]benzamide; ethanedioate

Systemtic Name: 2-bromanyl-N-[2-[3-(dimethylamino)propyl-phenyl-amino]pyridin-3-yl]benzamide; ethanedioate Openeye Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridyl]benzamide; oxalate CAS Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridinyl]benzamide; oxalate IUPAC Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]pyridin-3-yl]benzamide; oxalate Traditional Name: 2-bromo-N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridyl]benzamide; oxalate Formula: C25H25BrN4O5-2 MolecularWeight: 541.3938

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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(=O)(C(=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O.C2H2O4/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;3-1(4)2(5)6/h3-8,10-15H,9,16-17H2,1-2H3,(H,26,29);(H,3,4)(H,5,6)/p-2