2-[[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione Openeye Name: 2-[[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]methyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione CAS Name: 2-[[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]methyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione IUPAC Name: 2-[[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]methyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione Traditional Name: 2-[[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]methyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-quinone Formula: C25H25FN2O3 MolecularWeight: 420.476003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1CN=CC3C(=O)CC(CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2[C@@H]1CN=CC3C(=O)CC(CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O3/c1-16(29)28-11-10-18-4-2-3-5-21(18)23(28)15-27-14-22-24(30)12-19(13-25(22)31)17-6-8-20(26)9-7-17/h2-9,14,19,22-23H,10-13,15H2,1H3/t19?,22?,23-/m0/s1