3-[(4-bromanylphenoxy)methyl]-N-[(E)-1-(3-methylpyrazol-1-yl)propan-2-ylideneamino]benzamide

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-N-[(E)-1-(3-methylpyrazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 3-[(4-bromophenoxy)methyl]-N-[(E)-[1-methyl-2-(3-methylpyrazol-1-yl)ethylidene]amino]benzamide CAS Name: 3-[(4-bromophenoxy)methyl]-N-[(E)-1-(3-methyl-1-pyrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 3-[(4-bromophenoxy)methyl]-N-[(E)-1-(3-methylpyrazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 3-[(4-bromophenoxy)methyl]-N-[(E)-[1-methyl-2-(3-methylpyrazol-1-yl)ethylidene]amino]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=NNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=NN(C=C1)C/C(=N/NC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)Br)/C

InChI

InChI=1S/C21H21BrN4O2/c1-15-10-11-26(25-15)13-16(2)23-24-21(27)18-5-3-4-17(12-18)14-28-20-8-6-19(22)7-9-20/h3-12H,13-14H2,1-2H3,(H,24,27)/b23-16+