ethyl 1-(3-bromophenyl)-5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]amino]pyrazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-[[(E)-3-(1-ethyl-5-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-5-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)acryloyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22BrN5O3 MolecularWeight: 472.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C=CC(=O)NC2=C(C=NN2C3=CC(=CC=C3)Br)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)/C=C/C(=O)NC2=C(C=NN2C3=CC(=CC=C3)Br)C(=O)OCC)C

InChI

InChI=1S/C21H22BrN5O3/c1-4-26-14(3)15(12-23-26)9-10-19(28)25-20-18(21(29)30-5-2)13-24-27(20)17-8-6-7-16(22)11-17/h6-13H,4-5H2,1-3H3,(H,25,28)/b10-9+