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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=C(C=C3)N4C=CN=C4

InChI

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