2-[4-bromanyl-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-butan-2-ylideneamino]ethanamide

Systemtic Name: 2-[4-bromanyl-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-butan-2-ylideneamino]ethanamide Openeye Name: 2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-1-methylpropylideneamino]acetamide CAS Name: 2-[4-bromo-2-(2-phenyl-3-pyrazolyl)phenoxy]-N-[(Z)-butan-2-ylideneamino]acetamide IUPAC Name: 2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-butan-2-ylideneamino]acetamide Traditional Name: 2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]-N-[(Z)-1-methylpropylideneamino]acetamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)COC1=C(C=C(C=C1)Br)C2=CC=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC/C(=N\NC(=O)COC1=C(C=C(C=C1)Br)C2=CC=NN2C3=CC=CC=C3)/C

InChI

InChI=1S/C21H21BrN4O2/c1-3-15(2)24-25-21(27)14-28-20-10-9-16(22)13-18(20)19-11-12-23-26(19)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,25,27)/b24-15-