4-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile

Systemtic Name: 4-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile Openeye Name: 4-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridazine-3-carbonitrile CAS Name: 4-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridazinecarbonitrile IUPAC Name: 4-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile Traditional Name: 4-[(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=C(N=NC=C2)C#N

Isomeric SMILES

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

InChI

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