6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile

Systemtic Name: 6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile Openeye Name: 6-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile CAS Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridazinecarbonitrile IUPAC Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile Traditional Name: 6-[(5-bromo-2-hydroxy-benzyl)-ethyl-amino]pyridazine-3-carbonitrile Formula: C14H13BrN4O MolecularWeight: 333.18322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O/c1-2-19(14-6-4-12(8-16)17-18-14)9-10-7-11(15)3-5-13(10)20/h3-7,20H,2,9H2,1H3