5-[3-[1-cyclohexa-2,4-dien-1-yl-3-(4-methylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-[1-cyclohexa-2,4-dien-1-yl-3-(4-methylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[1-cyclohexa-2,4-dien-1-yl-3-(p-tolyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-[1-(1-cyclohexa-2,4-dienyl)-3-(4-methylphenyl)-4-pyrazolyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-[1-cyclohexa-2,4-dien-1-yl-3-(4-methylphenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-[1-cyclohexa-2,4-dien-1-yl-3-(p-tolyl)pyrazol-4-yl]-3-phenyl-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CC=C4)C5CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CC=C4)C5CC=CC=C5

InChI

InChI=1S/C30H30N4O3/c1-21-15-17-23(18-16-21)30-25(20-33(32-30)24-11-6-3-7-12-24)27-19-26(22-9-4-2-5-10-22)31-34(27)28(35)13-8-14-29(36)37/h2-7,9-11,15-18,20,24,27H,8,12-14,19H2,1H3,(H,36,37)