N-[[4-(dimethylaminomethyl)phenyl]methyl]-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide

Systemtic Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide Openeye Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1,3-dioxo-2-phenethyl-isoindoline-5-carboxamide CAS Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1,3-dioxo-2-phenethyl-5-isoindolecarboxamide IUPAC Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1,3-dioxo-2-phenethylisoindole-5-carboxamide Traditional Name: N-[4-(dimethylaminomethyl)benzyl]-1,3-diketo-2-phenethyl-isoindoline-5-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-29(2)18-21-10-8-20(9-11-21)17-28-25(31)22-12-13-23-24(16-22)27(33)30(26(23)32)15-14-19-6-4-3-5-7-19/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,31)