N-[2-[(1S)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[(1S)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[(1S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]cyclohexanecarboxamide CAS Name: N-[2-[(1S)-2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(1S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]cyclohexanecarboxamide Traditional Name: N-[2-[(1S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]cyclohexanecarboxamide Formula: C20H27ClN2O2 MolecularWeight: 362.89358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCCC2C3=CC=CC=C3CCN2C(=O)CCl

Isomeric SMILES

C1CCC(CC1)C(=O)NCC[C@H]2C3=CC=CC=C3CCN2C(=O)CCl

InChI

InChI=1S/C20H27ClN2O2/c21-14-19(24)23-13-11-15-6-4-5-9-17(15)18(23)10-12-22-20(25)16-7-2-1-3-8-16/h4-6,9,16,18H,1-3,7-8,10-14H2,(H,22,25)/t18-/m0/s1