2-butyl-N-[4-(cyanomethyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[4-(cyanomethyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[4-(cyanomethyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[4-(cyanomethyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[4-(cyanomethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[4-(cyanomethyl)phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H19N3O3/c1-2-3-12-24-20(26)17-9-6-15(13-18(17)21(24)27)19(25)23-16-7-4-14(5-8-16)10-11-22/h4-9,13H,2-3,10,12H2,1H3,(H,23,25)