N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]propyl]-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C27H32FN5O3 MolecularWeight: 493.573083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H32FN5O3/c28-23-8-3-4-9-24(23)32-18-16-31(17-19-32)14-5-12-29-25(34)10-13-30-26(35)20-33-15-11-21-6-1-2-7-22(21)27(33)36/h1-4,6-9,11,15H,5,10,12-14,16-20H2,(H,29,34)(H,30,35)