1-[[4-(azepan-1-yl)-2-chloranyl-phenyl]methyl]-3-isoquinolin-5-yl-urea hydrochloride

Systemtic Name: 1-[[4-(azepan-1-yl)-2-chloranyl-phenyl]methyl]-3-isoquinolin-5-yl-urea hydrochloride Openeye Name: 1-[[4-(azepan-1-yl)-2-chloro-phenyl]methyl]-3-(5-isoquinolyl)urea hydrochloride CAS Name: 1-[[4-(1-azepanyl)-2-chlorophenyl]methyl]-3-(5-isoquinolinyl)urea hydrochloride IUPAC Name: 1-[[4-(azepan-1-yl)-2-chlorophenyl]methyl]-3-isoquinolin-5-ylurea hydrochloride Traditional Name: 1-[4-(azepan-1-yl)-2-chloro-benzyl]-3-(5-isoquinolyl)urea hydrochloride Formula: C23H26Cl2N4O MolecularWeight: 445.38474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O.ClH/c24-21-14-19(28-12-3-1-2-4-13-28)9-8-18(21)16-26-23(29)27-22-7-5-6-17-15-25-11-10-20(17)22;/h5-11,14-15H,1-4,12-13,16H2,(H2,26,27,29);1H