N-[1-(4-imidazol-1-ylphenyl)ethyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-18(20-7-10-22(11-8-20)30-14-13-28-17-30)29-25(32)21-9-12-23-24(15-21)27(34)31(26(23)33)16-19-5-3-2-4-6-19/h2-15,17-18H,16H2,1H3,(H,29,32)