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

Systemtic Name: 1-[[4-(azepan-1-yl)-3-fluoranyl-phenyl]methyl]-3-isoquinolin-5-yl-urea hydrochloride Openeye Name: 1-[[4-(azepan-1-yl)-3-fluoro-phenyl]methyl]-3-(5-isoquinolyl)urea hydrochloride CAS Name: 1-[[4-(1-azepanyl)-3-fluorophenyl]methyl]-3-(5-isoquinolinyl)urea hydrochloride IUPAC Name: 1-[[4-(azepan-1-yl)-3-fluorophenyl]methyl]-3-isoquinolin-5-ylurea hydrochloride Traditional Name: 1-[4-(azepan-1-yl)-3-fluoro-benzyl]-3-(5-isoquinolyl)urea hydrochloride Formula: C23H26ClFN4O MolecularWeight: 428.930143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4)F.Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4)F.Cl

InChI

InChI=1S/C23H25FN4O.ClH/c24-20-14-17(8-9-22(20)28-12-3-1-2-4-13-28)15-26-23(29)27-21-7-5-6-18-16-25-11-10-19(18)21;/h5-11,14,16H,1-4,12-13,15H2,(H2,26,27,29);1H