(E)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2/c1-15-11-17(22)8-9-19(15)25-21(28)13-23-20(27)10-7-16-12-24-26(14-16)18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,27)(H,25,28)/b10-7+