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

Systemtic Name: 1-[(3-fluoranyl-4-piperidin-1-yl-phenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[[3-fluoro-4-(1-piperidyl)phenyl]methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[3-fluoro-4-(1-piperidinyl)phenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-(3-fluoro-4-piperidino-benzyl)-3-(3-methyl-5-isoquinolyl)urea Formula: C23H25FN4O MolecularWeight: 392.469203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCCC4)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCCC4)F

InChI

InChI=1S/C23H25FN4O/c1-16-12-19-18(15-25-16)6-5-7-21(19)27-23(29)26-14-17-8-9-22(20(24)13-17)28-10-3-2-4-11-28/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H2,26,27,29)