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

Systemtic Name: 1-(3-chloranylisoquinolin-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea Openeye Name: 1-(3-chloro-5-isoquinolyl)-3-[(4-morpholinophenyl)methyl]urea CAS Name: 1-(3-chloro-5-isoquinolinyl)-3-[[4-(4-morpholinyl)phenyl]methyl]urea IUPAC Name: 1-(3-chloroisoquinolin-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea Traditional Name: 1-(3-chloro-5-isoquinolyl)-3-(4-morpholinobenzyl)urea Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/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)