4-[3,3-bis(chloranyl)-2-(4-ethoxyphenyl)-4-oxidanylidene-azetidin-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3,3-bis(chloranyl)-2-(4-ethoxyphenyl)-4-oxidanylidene-azetidin-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3,3-dichloro-2-(4-ethoxyphenyl)-4-oxo-azetidin-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3,3-dichloro-2-(4-ethoxyphenyl)-4-oxo-1-azetidinyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3,3-dichloro-2-(4-ethoxyphenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(3,3-dichloro-2-keto-4-p-phenetyl-azetidin-1-yl)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)(Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)(Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O3/c1-4-30-17-12-10-15(11-13-17)19-22(23,24)21(29)26(19)18-14(2)25(3)27(20(18)28)16-8-6-5-7-9-16/h5-13,19H,4H2,1-3H3