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

Systemtic Name: 4-[3-chloranyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-azetidin-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-azetidin-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H20ClN3O4 MolecularWeight: 413.8542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C21H20ClN3O4/c1-12-18(21(28)25(23(12)2)14-7-5-4-6-8-14)24-19(17(22)20(24)27)13-9-10-15(26)16(11-13)29-3/h4-11,17,19,26H,1-3H3