methyl (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H16BrN3O2/c1-27-21(26)17(12-23)11-18-14-25(13-15-7-9-19(22)10-8-15)24-20(18)16-5-3-2-4-6-16/h2-11,14H,13H2,1H3/b17-11+