ethyl 5-methyl-1-[4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4O4/c1-3-36-28(35)25-19-29-32(20(25)2)24-12-10-23(11-13-24)30-27(34)22-15-17-31(18-16-22)26(33)14-9-21-7-5-4-6-8-21/h4-14,19,22H,3,15-18H2,1-2H3,(H,30,34)/b14-9+