4-(1,1-diphenoxyethyl)-5-methyl-pyrazol-3-one

Systemtic Name: 4-(1,1-diphenoxyethyl)-5-methyl-pyrazol-3-one Openeye Name: 4-(1,1-diphenoxyethyl)-5-methyl-pyrazol-3-one CAS Name: 4-(1,1-diphenoxyethyl)-5-methyl-3-pyrazolone IUPAC Name: 4-(1,1-diphenoxyethyl)-5-methylpyrazol-3-one Traditional Name: 4-(1,1-diphenoxyethyl)-5-methyl-pyrazol-3-one Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)C(C)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=N1)C(C)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3/c1-13-16(17(21)20-19-13)18(2,22-14-9-5-3-6-10-14)23-15-11-7-4-8-12-15/h3-12H,1-2H3