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

Systemtic Name: 7-fluoranyl-3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one Openeye Name: 7-fluoro-3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one CAS Name: 7-fluoro-3-methyl-4-[(4-phenyl-1-piperazinyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 7-fluoro-3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one Traditional Name: 7-fluoro-3-methyl-4-[(4-phenylpiperazino)methyl]isocarbostyril Formula: C21H22FN3O MolecularWeight: 351.417283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22FN3O/c1-15-20(18-8-7-16(22)13-19(18)21(26)23-15)14-24-9-11-25(12-10-24)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,23,26)