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

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-(5-bromo-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3O3/c22-15-6-7-17-18(10-15)21(28)25(20(17)27)13-19(26)23-16-8-9-24(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,23,26)