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

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]propanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-(5-bromo-1,3-diketo-isoindolin-2-yl)propionamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCN(C1)CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1CCN(C1)CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3/c1-14(26-21(28)18-8-7-16(23)11-19(18)22(26)29)20(27)24-17-9-10-25(13-17)12-15-5-3-2-4-6-15/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,24,27)