N-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl]-3-pyrazol-1-yl-propan-1-amine hydrochloride

Systemtic Name: N-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl]-3-pyrazol-1-yl-propan-1-amine hydrochloride Openeye Name: N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]-3-pyrazol-1-yl-propan-1-amine hydrochloride CAS Name: N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-(1-pyrazolyl)-1-propanamine hydrochloride IUPAC Name: N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine hydrochloride Traditional Name: (3,5-dibromo-2-ethoxy-benzyl)-(3-pyrazol-1-ylpropyl)amine hydrochloride Formula: C15H20Br2ClN3O MolecularWeight: 453.5998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNCCCN2C=CC=N2)Br)Br.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1CNCCCN2C=CC=N2)Br)Br.Cl

InChI

InChI=1S/C15H19Br2N3O.ClH/c1-2-21-15-12(9-13(16)10-14(15)17)11-18-5-3-7-20-8-4-6-19-20;/h4,6,8-10,18H,2-3,5,7,11H2,1H3;1H