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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1CNC=C3C(=O)CC(CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2C1CNC=C3C(=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/h2-9,14,19,23,27H,10-13,15H2,1H3