2-[[4-(6-bromanyl-2-methyl-quinolin-4-yl)oxypiperidin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[4-(6-bromanyl-2-methyl-quinolin-4-yl)oxypiperidin-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[4-[(6-bromo-2-methyl-4-quinolyl)oxy]-1-piperidyl]methyl]-3-fluoro-benzonitrile CAS Name: 2-[[4-[(6-bromo-2-methyl-4-quinolinyl)oxy]-1-piperidinyl]methyl]-3-fluorobenzonitrile IUPAC Name: 2-[[4-(6-bromo-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 2-[[4-[(6-bromo-2-methyl-4-quinolyl)oxy]piperidino]methyl]-3-fluoro-benzonitrile Formula: C23H21BrFN3O MolecularWeight: 454.334743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)OC3CCN(CC3)CC4=C(C=CC=C4F)C#N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)OC3CCN(CC3)CC4=C(C=CC=C4F)C#N

InChI

InChI=1S/C23H21BrFN3O/c1-15-11-23(19-12-17(24)5-6-22(19)27-15)29-18-7-9-28(10-8-18)14-20-16(13-26)3-2-4-21(20)25/h2-6,11-12,18H,7-10,14H2,1H3