ethyl 1-(4-methoxyphenyl)-5-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-methoxyphenyl)-5-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-methoxyphenyl)-5-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyrazole-3-carboxylate CAS Name: 1-(4-methoxyphenyl)-5-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methoxyphenyl)-5-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyrazole-3-carboxylate Traditional Name: 5-[4-(4-isovalerylpiperazino)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H34N4O4/c1-5-36-28(34)25-19-26(32(29-25)23-10-12-24(35-4)13-11-23)21-6-8-22(9-7-21)30-14-16-31(17-15-30)27(33)18-20(2)3/h6-13,19-20H,5,14-18H2,1-4H3