N-(2-azanylethyl)-N-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-2-phenylmethoxy-benzamide

Systemtic Name: N-(2-azanylethyl)-N-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-2-phenylmethoxy-benzamide Openeye Name: N-(2-aminoethyl)-2-benzyloxy-N-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]benzamide CAS Name: N-(2-aminoethyl)-N-[(4-bromo-2-methyl-3-pyrazolyl)methyl]-2-phenylmethoxybenzamide IUPAC Name: N-(2-aminoethyl)-N-[(4-bromo-2-methylpyrazol-3-yl)methyl]-2-phenylmethoxybenzamide Traditional Name: N-(2-aminoethyl)-2-benzoxy-N-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]benzamide Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)CN(CCN)C(=O)C2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)Br)CN(CCN)C(=O)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4O2/c1-25-19(18(22)13-24-25)14-26(12-11-23)21(27)17-9-5-6-10-20(17)28-15-16-7-3-2-4-8-16/h2-10,13H,11-12,14-15,23H2,1H3