N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide

Systemtic Name: N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide Openeye Name: N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide CAS Name: N'-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarbohydrazide IUPAC Name: N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide Traditional Name: N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1-[(E)-3-phenylacryloyl]isonipecotohydrazide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN4O3/c1-25-14-17(22)13-18(25)21(29)24-23-20(28)16-9-11-26(12-10-16)19(27)8-7-15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3,(H,23,28)(H,24,29)/b8-7+