4-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-dimethylaminophenyl)-3-phenyl-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H22N3O3- MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-23(2)17-10-8-16(9-11-17)19-14-18(15-6-4-3-5-7-15)22-24(19)20(25)12-13-21(26)27/h3-11,14,19,22H,12-13H2,1-2H3,(H,26,27)/p-1/t19-/m0/s1