N-[3-(azepan-1-yl)propyl]-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]acetamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H30N4O3/c27-20(23-11-7-14-25-12-5-1-2-6-13-25)16-24-21(28)17-26-15-10-18-8-3-4-9-19(18)22(26)29/h3-4,8-10,15H,1-2,5-7,11-14,16-17H2,(H,23,27)(H,24,28)