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

Systemtic Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C=CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)/C=C/C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H28N4O3/c1-5-35-27(34)22-18-29-32(24-16-13-20-8-6-7-9-23(20)30-24)26(22)31-25(33)17-12-19-10-14-21(15-11-19)28(2,3)4/h6-18H,5H2,1-4H3,(H,31,33)/b17-12+