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

Systemtic Name: 1-[3-(aminomethyl)phenyl]-3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]urea Openeye Name: 1-[3-(aminomethyl)phenyl]-3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]urea CAS Name: 1-[3-(aminomethyl)phenyl]-3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]urea IUPAC Name: 1-[3-(aminomethyl)phenyl]-3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]urea Traditional Name: 1-[3-(aminomethyl)phenyl]-3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]urea Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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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)NC4=CC=CC(=C4)CN

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NC4=CC=CC(=C4)CN

InChI

InChI=1S/C25H23ClN4O2/c1-30-22(15-28-25(32)29-19-9-5-6-16(12-19)14-27)23(17-7-3-2-4-8-17)21-13-18(26)10-11-20(21)24(30)31/h2-13H,14-15,27H2,1H3,(H2,28,29,32)