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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-(3-imidazol-1-ylpropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-(3-imidazol-1-ylpropyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H20N4O3/c27-20(24-9-4-11-25-12-10-23-15-25)17-7-8-18-19(13-17)22(29)26(21(18)28)14-16-5-2-1-3-6-16/h1-3,5-8,10,12-13,15H,4,9,11,14H2,(H,24,27)