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

Systemtic Name: 2-butyl-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[3-(1-imidazolylmethyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C23H22N4O3/c1-2-3-10-27-22(29)19-8-7-17(13-20(19)23(27)30)21(28)25-18-6-4-5-16(12-18)14-26-11-9-24-15-26/h4-9,11-13,15H,2-3,10,14H2,1H3,(H,25,28)