1-(3-chloranylisoquinolin-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea hydrochloride

Systemtic Name: 1-(3-chloranylisoquinolin-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea hydrochloride Openeye Name: 1-(3-chloro-5-isoquinolyl)-3-[(4-morpholinophenyl)methyl]urea hydrochloride CAS Name: 1-(3-chloro-5-isoquinolinyl)-3-[[4-(4-morpholinyl)phenyl]methyl]urea hydrochloride IUPAC Name: 1-(3-chloroisoquinolin-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea hydrochloride Traditional Name: 1-(3-chloro-5-isoquinolyl)-3-(4-morpholinobenzyl)urea hydrochloride Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)Cl.Cl

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)Cl.Cl

InChI

InChI=1S/C21H21ClN4O2.ClH/c22-20-12-18-16(14-23-20)2-1-3-19(18)25-21(27)24-13-15-4-6-17(7-5-15)26-8-10-28-11-9-26;/h1-7,12,14H,8-11,13H2,(H2,24,25,27);1H