N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-butyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C22H22BrN3O4/c1-3-4-9-26-21(29)16-7-5-14(11-17(16)22(26)30)20(28)24-12-19(27)25-18-8-6-15(23)10-13(18)2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,24,28)(H,25,27)