N-[(E)-3-(4-bromophenyl)-2-cyano-prop-2-enoyl]-3,5-dimethyl-pyrazole-1-carboxamide

Systemtic Name: N-[(E)-3-(4-bromophenyl)-2-cyano-prop-2-enoyl]-3,5-dimethyl-pyrazole-1-carboxamide Openeye Name: N-[(E)-3-(4-bromophenyl)-2-cyano-prop-2-enoyl]-3,5-dimethyl-pyrazole-1-carboxamide CAS Name: N-[(E)-3-(4-bromophenyl)-2-cyano-1-oxoprop-2-enyl]-3,5-dimethyl-1-pyrazolecarboxamide IUPAC Name: N-[(E)-3-(4-bromophenyl)-2-cyanoprop-2-enoyl]-3,5-dimethylpyrazole-1-carboxamide Traditional Name: N-[(E)-3-(4-bromophenyl)-2-cyano-acryloyl]-3,5-dimethyl-pyrazole-1-carboxamide Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)NC(=O)C(=CC2=CC=C(C=C2)Br)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)NC(=O)/C(=C/C2=CC=C(C=C2)Br)/C#N)C

InChI

InChI=1S/C16H13BrN4O2/c1-10-7-11(2)21(20-10)16(23)19-15(22)13(9-18)8-12-3-5-14(17)6-4-12/h3-8H,1-2H3,(H,19,22,23)/b13-8+