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

Systemtic Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30N4O3/c1-6-36-28(35)23-18-30-33(25-17-19(2)22-9-7-8-10-24(22)31-25)27(23)32-26(34)16-13-20-11-14-21(15-12-20)29(3,4)5/h7-18H,6H2,1-5H3,(H,32,34)/b16-13+