3-[(4-bromanylpyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide hydrochloride

Systemtic Name: 3-[(4-bromanylpyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide hydrochloride Openeye Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-(4-pyridylmethyl)benzamide hydrochloride CAS Name: 3-[(4-bromo-1-pyrazolyl)methyl]-N-(pyridin-4-ylmethyl)benzamide hydrochloride IUPAC Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide hydrochloride Traditional Name: 3-[(4-bromopyrazol-1-yl)methyl]-N-(4-pyridylmethyl)benzamide hydrochloride Formula: C17H16BrClN4O MolecularWeight: 407.69214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)NCC3=CC=NC=C3.Cl

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=N2)Br)C(=O)NCC3=CC=NC=C3.Cl

InChI

InChI=1S/C17H15BrN4O.ClH/c18-16-10-21-22(12-16)11-14-2-1-3-15(8-14)17(23)20-9-13-4-6-19-7-5-13;/h1-8,10,12H,9,11H2,(H,20,23);1H