N-(4-morpholin-4-ylbutyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(4-morpholin-4-ylbutyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(4-morpholinobutyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[4-(4-morpholinyl)butyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(4-morpholin-4-ylbutyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-(4-morpholinobutyl)propionamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C1COCCN1CCCCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H30N4O4/c27-20(23-9-3-4-11-25-13-15-30-16-14-25)7-10-24-21(28)17-26-12-8-18-5-1-2-6-19(18)22(26)29/h1-2,5-6,8,12H,3-4,7,9-11,13-17H2,(H,23,27)(H,24,28)