4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[[2-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-4-phthalimido-butyramide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4

InChI

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