5-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-3-pyrazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[2-(4-methoxyphenyl)-5-methyl-4-phenylpyrazol-3-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]valerate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCCC(=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N3O4/c1-15-21(16-7-4-3-5-8-16)22(23-19(26)9-6-10-20(27)28)25(24-15)17-11-13-18(29-2)14-12-17/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H,23,26)(H,27,28)/p-1