N-(1-adamantyl)-2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1-adamantyl)-2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1-adamantyl)-2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1-adamantyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1-adamantyl)-2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O3/c1-15-3-4-16(2)23(7-15)29-25(31)21-6-5-20(11-22(21)26(29)32)24(30)28-27-12-17-8-18(13-27)10-19(9-17)14-27/h3-7,11,17-19H,8-10,12-14H2,1-2H3,(H,28,30)