2-(2-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(3-methyl-4-pyrrolidino-phenyl)-2-(o-tolyl)isoindoline-5-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)N5CCCC5)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)N5CCCC5)C

InChI

InChI=1S/C27H25N3O3/c1-17-7-3-4-8-24(17)30-26(32)21-11-9-19(16-22(21)27(30)33)25(31)28-20-10-12-23(18(2)15-20)29-13-5-6-14-29/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3,(H,28,31)