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

Systemtic Name: 5-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(1,3-diphenyl-4-pyrazolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C30H27N4O4- MolecularWeight: 507.55978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C30H28N4O4/c1-38-24-17-15-21(16-18-24)26-19-27(34(31-26)28(35)13-8-14-29(36)37)25-20-33(23-11-6-3-7-12-23)32-30(25)22-9-4-2-5-10-22/h2-7,9-12,15-18,20,27H,8,13-14,19H2,1H3,(H,36,37)/p-1/t27-/m0/s1