N-(3-imidazol-1-ylpropyl)-1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1,3-dioxo-2-phenyl-isoindoline-5-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1,3-dioxo-2-phenyl-5-isoindolecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1,3-diketo-2-phenyl-isoindoline-5-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C21H18N4O3/c26-19(23-9-4-11-24-12-10-22-14-24)15-7-8-17-18(13-15)21(28)25(20(17)27)16-5-2-1-3-6-16/h1-3,5-8,10,12-14H,4,9,11H2,(H,23,26)