N-cyclohexyl-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-cyclohexyl-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-cyclohexyl-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-cyclohexyl-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-cyclohexyl-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-cyclohexyl-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H25N3O3/c24-18(22-16-7-2-1-3-8-16)10-12-21-19(25)14-23-13-11-15-6-4-5-9-17(15)20(23)26/h4-6,9,11,13,16H,1-3,7-8,10,12,14H2,(H,21,25)(H,22,24)