5-[(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-3-(3,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]-5-keto-valerate Formula: C22H23N2O5- MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([C@@H](C2)C3=CC=CC=C3)C(=O)CCCC(=O)[O-])OC

InChI

InChI=1S/C22H24N2O5/c1-28-19-12-11-16(13-20(19)29-2)17-14-18(15-7-4-3-5-8-15)24(23-17)21(25)9-6-10-22(26)27/h3-5,7-8,11-13,18H,6,9-10,14H2,1-2H3,(H,26,27)/p-1/t18-/m0/s1