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

Systemtic Name: 1-[[4-(azepan-1-yl)phenyl]methyl]-3-isoquinolin-5-yl-urea hydrochloride Openeye Name: 1-[[4-(azepan-1-yl)phenyl]methyl]-3-(5-isoquinolyl)urea hydrochloride CAS Name: 1-[[4-(1-azepanyl)phenyl]methyl]-3-(5-isoquinolinyl)urea hydrochloride IUPAC Name: 1-[[4-(azepan-1-yl)phenyl]methyl]-3-isoquinolin-5-ylurea hydrochloride Traditional Name: 1-[4-(azepan-1-yl)benzyl]-3-(5-isoquinolyl)urea hydrochloride Formula: C23H27ClN4O MolecularWeight: 410.93968

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O.ClH/c28-23(26-22-7-5-6-19-17-24-13-12-21(19)22)25-16-18-8-10-20(11-9-18)27-14-3-1-2-4-15-27;/h5-13,17H,1-4,14-16H2,(H2,25,26,28);1H