butyl 3-[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)ethanoylamino]butanoate

Systemtic Name: butyl 3-[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)ethanoylamino]butanoate Openeye Name: butyl 3-[[2-(1-oxo-6-piperazin-1-yl-isoindolin-2-yl)acetyl]amino]butanoate CAS Name: 3-[[1-oxo-2-[3-oxo-5-(1-piperazinyl)-1H-isoindol-2-yl]ethyl]amino]butanoic acid butyl ester IUPAC Name: butyl 3-[[2-(3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)acetyl]amino]butanoate Traditional Name: 3-[[2-(1-keto-6-piperazino-isoindolin-2-yl)acetyl]amino]butyric acid butyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C)NC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CCCCOC(=O)CC(C)NC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C22H32N4O4/c1-3-4-11-30-21(28)12-16(2)24-20(27)15-26-14-17-5-6-18(13-19(17)22(26)29)25-9-7-23-8-10-25/h5-6,13,16,23H,3-4,7-12,14-15H2,1-2H3,(H,24,27)