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

Systemtic Name: 5-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3S)-3-(4-dimethylaminophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5S)-5-(4-dimethylaminophenyl)-3-phenyl-3-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C=C(NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-24(2)18-13-11-17(12-14-18)20-15-19(16-7-4-3-5-8-16)23-25(20)21(26)9-6-10-22(27)28/h3-5,7-8,11-15,20,23H,6,9-10H2,1-2H3,(H,27,28)/t20-/m0/s1