5-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(4-chlorophenyl)-3-(2-furyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(4-chlorophenyl)-3-(2-furanyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-3-(4-chlorophenyl)-5-(2-furyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C18H16ClN2O4- MolecularWeight: 359.78364

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2C=C(NN2C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)[C@@H]2C=C(NN2C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O4/c19-13-8-6-12(7-9-13)14-11-15(16-3-2-10-25-16)21(20-14)17(22)4-1-5-18(23)24/h2-3,6-11,15,20H,1,4-5H2,(H,23,24)/p-1/t15-/m0/s1