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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c26-20(23-13-10-17-6-2-1-3-7-17)11-14-24-21(27)16-25-15-12-18-8-4-5-9-19(18)22(25)28/h4-6,8-9,12,15H,1-3,7,10-11,13-14,16H2,(H,23,26)(H,24,27)