N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]acetamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NCCC3=CCCCC3

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H27N3O3/c1-16-13-18-9-5-6-10-19(18)22(28)25(16)15-21(27)24-14-20(26)23-12-11-17-7-3-2-4-8-17/h5-7,9-10,13H,2-4,8,11-12,14-15H2,1H3,(H,23,26)(H,24,27)