2-[5-[2-(1-chloranylcycloheptyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]ethyl ethanoate

Systemtic Name: 2-[5-[2-(1-chloranylcycloheptyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]ethyl ethanoate Openeye Name: 2-[5-[[2-(1-chlorocycloheptyl)acetyl]amino]-1-oxo-2-isoquinolyl]ethyl acetate CAS Name: acetic acid 2-[5-[[2-(1-chlorocycloheptyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]ethyl ester IUPAC Name: 2-[5-[[2-(1-chlorocycloheptyl)acetyl]amino]-1-oxoisoquinolin-2-yl]ethyl acetate Traditional Name: acetic acid 2-[5-[[2-(1-chlorocycloheptyl)acetyl]amino]-1-keto-2-isoquinolyl]ethyl ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3(CCCCCC3)Cl

Isomeric SMILES

CC(=O)OCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3(CCCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-16(26)29-14-13-25-12-9-17-18(21(25)28)7-6-8-19(17)24-20(27)15-22(23)10-4-2-3-5-11-22/h6-9,12H,2-5,10-11,13-15H2,1H3,(H,24,27)