7-fluoranyl-3-methyl-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]-2H-isoquinolin-1-one

Systemtic Name: 7-fluoranyl-3-methyl-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]-2H-isoquinolin-1-one Openeye Name: 4-[(4-benzyl-1-piperidyl)methyl]-7-fluoro-3-methyl-2H-isoquinolin-1-one CAS Name: 7-fluoro-3-methyl-4-[[4-(phenylmethyl)-1-piperidinyl]methyl]-2H-isoquinolin-1-one IUPAC Name: 4-[(4-benzylpiperidin-1-yl)methyl]-7-fluoro-3-methyl-2H-isoquinolin-1-one Traditional Name: 4-[(4-benzylpiperidino)methyl]-7-fluoro-3-methyl-isocarbostyril Formula: C23H25FN2O MolecularWeight: 364.455803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25FN2O/c1-16-22(20-8-7-19(24)14-21(20)23(27)25-16)15-26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,25,27)