4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-phthalimido-butyramide Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N4O4/c1-2-13-23-22(30)25-16-11-9-15(10-12-16)24-19(27)8-5-14-26-20(28)17-6-3-4-7-18(17)21(26)29/h2-4,6-7,9-12H,1,5,8,13-14H2,(H,24,27)(H2,23,25,30)