(E)-N-(4-bromanyl-2-methyl-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-2-methyl-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(4-bromo-2-methyl-phenyl)prop-2-enamide CAS Name: (E)-N-(4-bromo-2-methylphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(4-bromo-2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(4-bromo-2-methyl-phenyl)acrylamide Formula: C20H18BrN3O MolecularWeight: 396.28042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O/c1-15-11-18(21)8-9-19(15)23-20(25)10-7-17-12-22-24(14-17)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,25)/b10-7+