3-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methylamino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methylamino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methylamino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methylamino]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methylamino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)methylamino]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1CNC3=CC(=O)CC(C3)(C)C

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2C1CNC3=CC(=O)CC(C3)(C)C

InChI

InChI=1S/C20H26N2O2/c1-14(23)22-9-8-15-6-4-5-7-18(15)19(22)13-21-16-10-17(24)12-20(2,3)11-16/h4-7,10,19,21H,8-9,11-13H2,1-3H3