1-[[3-fluoranyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[[3-fluoranyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[[3-fluoro-4-(4-methyl-1-piperidyl)phenyl]methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[3-fluoro-4-(4-methyl-1-piperidinyl)phenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[3-fluoro-4-(4-methylpiperidino)benzyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C24H27FN4O MolecularWeight: 406.495783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)C)F

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)C)F

InChI

InChI=1S/C24H27FN4O/c1-16-8-10-29(11-9-16)23-7-6-18(13-21(23)25)14-27-24(30)28-22-5-3-4-19-15-26-17(2)12-20(19)22/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H2,27,28,30)