ethyl (Z)-3-[[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]amino]but-2-enoate

Systemtic Name: ethyl (Z)-3-[[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]amino]but-2-enoate Openeye Name: ethyl (Z)-3-[[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]amino]but-2-enoate CAS Name: (Z)-3-[[4-(3-bromophenyl)-5-methyl-2-phenyl-3-pyrazolyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[[4-(3-bromophenyl)-5-methyl-2-phenylpyrazol-3-yl]amino]but-2-enoate Traditional Name: (Z)-3-[[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]amino]but-2-enoic acid ethyl ester Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=C(C(=NN1C2=CC=CC=C2)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)/C=C(/C)\NC1=C(C(=NN1C2=CC=CC=C2)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H22BrN3O2/c1-4-28-20(27)13-15(2)24-22-21(17-9-8-10-18(23)14-17)16(3)25-26(22)19-11-6-5-7-12-19/h5-14,24H,4H2,1-3H3/b15-13-