N-[(3S)-2-oxidanylidene-1-[2-oxidanylidene-2-[(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)amino]ethyl]azepan-3-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylidene-1-[2-oxidanylidene-2-[(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)amino]ethyl]azepan-3-yl]isoquinoline-1-carboxamide Openeye Name: N-[(3S)-1-[2-[(2-hydroxy-5-oxo-tetrahydrofuran-3-yl)amino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]isoquinoline-1-carboxamide CAS Name: N-[(3S)-1-[2-[(2-hydroxy-5-oxo-3-oxolanyl)amino]-2-oxoethyl]-2-oxo-3-azepanyl]-1-isoquinolinecarboxamide IUPAC Name: N-[(3S)-1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-2-oxoazepan-3-yl]isoquinoline-1-carboxamide Traditional Name: N-[(3S)-1-[2-[(2-hydroxy-5-keto-tetrahydrofuran-3-yl)amino]-2-keto-ethyl]-2-keto-azepan-3-yl]isoquinoline-1-carboxamide Formula: C22H24N4O6 MolecularWeight: 440.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=NC=CC3=CC=CC=C32)CC(=O)NC4CC(=O)OC4O

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)C2=NC=CC3=CC=CC=C32)CC(=O)NC4CC(=O)OC4O

InChI

InChI=1S/C22H24N4O6/c27-17(24-16-11-18(28)32-22(16)31)12-26-10-4-3-7-15(21(26)30)25-20(29)19-14-6-2-1-5-13(14)8-9-23-19/h1-2,5-6,8-9,15-16,22,31H,3-4,7,10-12H2,(H,24,27)(H,25,29)/t15-,16?,22?/m0/s1