ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H27N3O3/c1-5-31-24(30)21-17-26-28(20-9-7-6-8-10-20)23(21)27-22(29)16-13-18-11-14-19(15-12-18)25(2,3)4/h6-17H,5H2,1-4H3,(H,27,29)/b16-13+