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

Systemtic Name: 2-butyl-N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O4/c1-3-4-10-26-21(29)15-9-8-14(11-16(15)22(26)30)20(28)24-12-19(27)25-18-7-5-6-17(23)13(18)2/h5-9,11H,3-4,10,12H2,1-2H3,(H,24,28)(H,25,27)