1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one; N,N-dimethylmethanamine

Systemtic Name: 1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one; N,N-dimethylmethanamine Openeye Name: 1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one; N,N-dimethylmethanamine CAS Name: 1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one; N,N-dimethylmethanamine IUPAC Name: 1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one; N,N-dimethylmethanamine Traditional Name: 1-(4-chlorophenyl)-4-propyl-2,4-dihydro-1H-isoquinolin-3-one; trimethylamine Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)Cl.CN(C)C

Isomeric SMILES

CCCC1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)Cl.CN(C)C

InChI

InChI=1S/C18H18ClNO.C3H9N/c1-2-5-16-14-6-3-4-7-15(14)17(20-18(16)21)12-8-10-13(19)11-9-12;1-4(2)3/h3-4,6-11,16-17H,2,5H2,1H3,(H,20,21);1-3H3