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

Systemtic Name: 6-[[5-bromanyl-2-[(phenylmethyl)amino]phenyl]methyl-ethyl-amino]pyridazine-3-carboxamide Openeye Name: 6-[[2-(benzylamino)-5-bromo-phenyl]methyl-ethyl-amino]pyridazine-3-carboxamide CAS Name: 6-[[5-bromo-2-[(phenylmethyl)amino]phenyl]methyl-ethylamino]-3-pyridazinecarboxamide IUPAC Name: 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide Traditional Name: 6-[[2-(benzylamino)-5-bromo-benzyl]-ethyl-amino]pyridazine-3-carboxamide Formula: C21H22BrN5O MolecularWeight: 440.33628

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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)N

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)NCC2=CC=CC=C2)C3=NN=C(C=C3)C(=O)N

InChI

InChI=1S/C21H22BrN5O/c1-2-27(20-11-10-19(21(23)28)25-26-20)14-16-12-17(22)8-9-18(16)24-13-15-6-4-3-5-7-15/h3-12,24H,2,13-14H2,1H3,(H2,23,28)