2-(4-acetamidophenyl)-N-[1-(1-adamantyl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(4-acetamidophenyl)-N-[1-(1-adamantyl)ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(4-acetamidophenyl)-N-[1-(1-adamantyl)ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(4-acetamidophenyl)-N-[1-(1-adamantyl)ethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(4-acetamidophenyl)-N-[1-(1-adamantyl)ethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-(4-acetamidophenyl)-N-[1-(1-adamantyl)ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)NC(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)NC(=O)C

InChI

InChI=1S/C29H31N3O4/c1-16(29-13-18-9-19(14-29)11-20(10-18)15-29)30-26(34)21-3-8-24-25(12-21)28(36)32(27(24)35)23-6-4-22(5-7-23)31-17(2)33/h3-8,12,16,18-20H,9-11,13-15H2,1-2H3,(H,30,34)(H,31,33)