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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[3-(methylaminomethyl)phenyl]urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-[3-(methylaminomethyl)phenyl]urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[3-(methylaminomethyl)phenyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-(methylaminomethyl)phenyl]urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-[3-(methylaminomethyl)phenyl]urea Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CNCC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C26H25ClN4O2/c1-28-15-17-7-6-10-20(13-17)30-26(33)29-16-23-24(18-8-4-3-5-9-18)22-14-19(27)11-12-21(22)25(32)31(23)2/h3-14,28H,15-16H2,1-2H3,(H2,29,30,33)