N-[(4-bromophenyl)methyl]-2-(oxan-4-yl)-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-(oxan-4-yl)-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-3-oxo-2-tetrahydropyran-4-yl-isoindoline-1-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-2-(4-oxanyl)-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-(oxan-4-yl)-3-oxo-1H-isoindole-1-carboxamide Traditional Name: N-(4-bromobenzyl)-3-keto-2-tetrahydropyran-4-yl-isoindoline-1-carboxamide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O3/c22-15-7-5-14(6-8-15)13-23-20(25)19-17-3-1-2-4-18(17)21(26)24(19)16-9-11-27-12-10-16/h1-8,16,19H,9-13H2,(H,23,25)