1,5-dimethyl-4-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-phenyl-methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-phenyl-methyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-[(2-hydroxy-4-oxo-chromen-3-yl)-phenyl-methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-phenylmethyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2-hydroxy-4-oxochromen-3-yl)-phenylmethyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2-hydroxy-4-keto-chromen-3-yl)-phenyl-methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C27H22N2O4/c1-17-22(26(31)29(28(17)2)19-13-7-4-8-14-19)23(18-11-5-3-6-12-18)24-25(30)20-15-9-10-16-21(20)33-27(24)32/h3-16,23,32H,1-2H3