1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-(3-imidazol-1-ylpropyl)urea

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-(3-imidazol-1-ylpropyl)urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-(3-imidazol-1-ylpropyl)urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[3-(1-imidazolyl)propyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-imidazol-1-ylpropyl)urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-(3-imidazol-1-ylpropyl)urea Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NCCCN4C=CN=C4

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C24H24ClN5O2/c1-29-21(15-28-24(32)27-10-5-12-30-13-11-26-16-30)22(17-6-3-2-4-7-17)20-14-18(25)8-9-19(20)23(29)31/h2-4,6-9,11,13-14,16H,5,10,12,15H2,1H3,(H2,27,28,32)