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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCCCC4)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=C(C=C3)N4CCCCCC4)F

InChI

InChI=1S/C24H27FN4O/c1-17-13-20-19(16-26-17)7-6-8-22(20)28-24(30)27-15-18-9-10-23(21(25)14-18)29-11-4-2-3-5-12-29/h6-10,13-14,16H,2-5,11-12,15H2,1H3,(H2,27,28,30)