2-[[1-[4-chloranyl-2-(2-fluorophenyl)carbonyl-phenyl]-4,5-dimethyl-pyrrol-2-yl]methyl]-5-methoxy-isoindole-1,3-dione

Systemtic Name: 2-[[1-[4-chloranyl-2-(2-fluorophenyl)carbonyl-phenyl]-4,5-dimethyl-pyrrol-2-yl]methyl]-5-methoxy-isoindole-1,3-dione Openeye Name: 2-[[1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-4,5-dimethyl-pyrrol-2-yl]methyl]-5-methoxy-isoindoline-1,3-dione CAS Name: 2-[[1-[4-chloro-2-[(2-fluorophenyl)-oxomethyl]phenyl]-4,5-dimethyl-2-pyrrolyl]methyl]-5-methoxyisoindole-1,3-dione IUPAC Name: 2-[[1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-4,5-dimethylpyrrol-2-yl]methyl]-5-methoxyisoindole-1,3-dione Traditional Name: 2-[[1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-4,5-dimethyl-pyrrol-2-yl]methyl]-5-methoxy-isoindoline-1,3-quinone Formula: C29H22ClFN2O4 MolecularWeight: 516.947383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC)C4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=C(N(C(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC)C4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5F)C

InChI

InChI=1S/C29H22ClFN2O4/c1-16-12-19(15-32-28(35)21-10-9-20(37-3)14-23(21)29(32)36)33(17(16)2)26-11-8-18(30)13-24(26)27(34)22-6-4-5-7-25(22)31/h4-14H,15H2,1-3H3