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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[3-(ethylaminomethyl)phenyl]urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-[3-(ethylaminomethyl)phenyl]urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[3-(ethylaminomethyl)phenyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-(ethylaminomethyl)phenyl]urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-[3-(ethylaminomethyl)phenyl]urea Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCNCC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O2/c1-3-29-16-18-8-7-11-21(14-18)31-27(34)30-17-24-25(19-9-5-4-6-10-19)23-15-20(28)12-13-22(23)26(33)32(24)2/h4-15,29H,3,16-17H2,1-2H3,(H2,30,31,34)