2-[1-(3-chloranyl-4-methyl-phenyl)-2-(4-dimethylaminophenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)-2-(4-dimethylaminophenyl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)-2-(4-dimethylaminophenyl)-4-oxo-azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[1-(3-chloro-4-methylphenyl)-2-(4-dimethylaminophenyl)-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)-2-(4-dimethylaminophenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)-2-(4-dimethylaminophenyl)-4-keto-azetidin-3-yl]isoindoline-1,3-quinone Formula: C26H22ClN3O3 MolecularWeight: 459.92418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)N(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)N(C)C)Cl

InChI

InChI=1S/C26H22ClN3O3/c1-15-8-11-18(14-21(15)27)29-22(16-9-12-17(13-10-16)28(2)3)23(26(29)33)30-24(31)19-6-4-5-7-20(19)25(30)32/h4-14,22-23H,1-3H3