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

Systemtic Name: 1-[[4-(azocan-1-yl)-3-fluoranyl-phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[[4-(azocan-1-yl)-3-fluoro-phenyl]methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[4-(1-azocanyl)-3-fluorophenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[4-(azocan-1-yl)-3-fluoro-benzyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C25H29FN4O MolecularWeight: 420.522363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCCCCC4)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCCCCC4)F

InChI

InChI=1S/C25H29FN4O/c1-18-14-21-20(17-27-18)8-7-9-23(21)29-25(31)28-16-19-10-11-24(22(26)15-19)30-12-5-3-2-4-6-13-30/h7-11,14-15,17H,2-6,12-13,16H2,1H3,(H2,28,29,31)