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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[3-(1-pyrrolidinylmethyl)phenyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-(pyrrolidin-1-ylmethyl)phenyl]urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-[3-(pyrrolidinomethyl)phenyl]urea Formula: C29H29ClN4O2 MolecularWeight: 501.01916

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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)CN5CCCC5

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NC4=CC=CC(=C4)CN5CCCC5

InChI

InChI=1S/C29H29ClN4O2/c1-33-26(18-31-29(36)32-23-11-7-8-20(16-23)19-34-14-5-6-15-34)27(21-9-3-2-4-10-21)25-17-22(30)12-13-24(25)28(33)35/h2-4,7-13,16-17H,5-6,14-15,18-19H2,1H3,(H2,31,32,36)