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

Systemtic Name: [[5-bromanyl-2-[(phenylmethyl)amino]phenyl]methyl-ethyl-amino] pyridazine-3-carboxylate Openeye Name: [[2-(benzylamino)-5-bromo-phenyl]methyl-ethyl-amino] pyridazine-3-carboxylate CAS Name: 3-pyridazinecarboxylic acid [[5-bromo-2-[(phenylmethyl)amino]phenyl]methyl-ethylamino] ester IUPAC Name: [[2-(benzylamino)-5-bromophenyl]methyl-ethylamino] pyridazine-3-carboxylate Traditional Name: pyridazine-3-carboxylic acid [[2-(benzylamino)-5-bromo-benzyl]-ethyl-amino] ester Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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