6-[[5-bromanyl-2-[(phenylmethyl)amino]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: 6-[[5-bromanyl-2-[(phenylmethyl)amino]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: 6-[[2-(benzylamino)-5-bromo-phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-[(phenylmethyl)amino]phenyl]methyl-ethylamino]-3-pyridazinecarboxylate IUPAC Name: 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[2-(benzylamino)-5-bromo-benzyl]-ethyl-amino]pyridazine-3-carboxylate Formula: C21H20BrN4O2- MolecularWeight: 440.3131

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)NCC2=CC=CC=C2)C3=NN=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)NCC2=CC=CC=C2)C3=NN=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21BrN4O2/c1-2-26(20-11-10-19(21(27)28)24-25-20)14-16-12-17(22)8-9-18(16)23-13-15-6-4-3-5-7-15/h3-12,23H,2,13-14H2,1H3,(H,27,28)/p-1