1-isoquinolin-5-yl-3-[(4-piperidin-1-ylphenyl)methyl]urea hydrochloride

Systemtic Name: 1-isoquinolin-5-yl-3-[(4-piperidin-1-ylphenyl)methyl]urea hydrochloride Openeye Name: 1-(5-isoquinolyl)-3-[[4-(1-piperidyl)phenyl]methyl]urea hydrochloride CAS Name: 1-(5-isoquinolinyl)-3-[[4-(1-piperidinyl)phenyl]methyl]urea hydrochloride IUPAC Name: 1-isoquinolin-5-yl-3-[(4-piperidin-1-ylphenyl)methyl]urea hydrochloride Traditional Name: 1-(5-isoquinolyl)-3-(4-piperidinobenzyl)urea hydrochloride Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4.Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4.Cl

InChI

InChI=1S/C22H24N4O.ClH/c27-22(25-21-6-4-5-18-16-23-12-11-20(18)21)24-15-17-7-9-19(10-8-17)26-13-2-1-3-14-26;/h4-12,16H,1-3,13-15H2,(H2,24,25,27);1H