3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-oxidanylideneazepan-3-yl)propanamide

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-oxidanylideneazepan-3-yl)propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(2-oxoazepan-3-yl)propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(2-oxo-3-azepanyl)propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-oxoazepan-3-yl)propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(2-ketoazepan-3-yl)propionamide Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O4/c18-10-4-5-11-12(9-10)17(25)21(16(11)24)8-6-14(22)20-13-3-1-2-7-19-15(13)23/h4-5,9,13H,1-3,6-8H2,(H,19,23)(H,20,22)