4-(3-azanylpropyl)-5-(5-bromanyl-2-methoxy-phenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(3-azanylpropyl)-5-(5-bromanyl-2-methoxy-phenyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(3-aminopropyl)-5-(5-bromo-2-methoxy-phenyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(3-aminopropyl)-5-(5-bromo-2-methoxyphenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-(3-aminopropyl)-5-(5-bromo-2-methoxyphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(3-aminopropyl)-5-(5-bromo-2-methoxy-phenyl)-3-pyrazolin-3-one Formula: C13H16BrN3O2 MolecularWeight: 326.18904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C(=O)NN2)CCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C(=O)NN2)CCCN

InChI

InChI=1S/C13H16BrN3O2/c1-19-11-5-4-8(14)7-10(11)12-9(3-2-6-15)13(18)17-16-12/h4-5,7H,2-3,6,15H2,1H3,(H2,16,17,18)