5-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(4-dimethylaminophenyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valerate Formula: C22H24N3O3- MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2CC(=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/h3-5,7-8,11-14,20H,6,9-10,15H2,1-2H3,(H,27,28)/p-1/t20-/m1/s1