1-methyl-3-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propan-2-yl]urea hydrate

Systemtic Name: 1-methyl-3-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propan-2-yl]urea hydrate Openeye Name: 1-methyl-3-[1-methyl-2-(1-oxo-4-phenyl-2-isoquinolyl)ethyl]urea hydrate CAS Name: 1-methyl-3-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propan-2-yl]urea hydrate IUPAC Name: 1-methyl-3-[1-(1-oxo-4-phenylisoquinolin-2-yl)propan-2-yl]urea hydrate Traditional Name: 1-[2-(1-keto-4-phenyl-2-isoquinolyl)-1-methyl-ethyl]-3-methyl-urea hydrate Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NC(=O)NC.O

Isomeric SMILES

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NC(=O)NC.O

InChI

InChI=1S/C20H21N3O2.H2O/c1-14(22-20(25)21-2)12-23-13-18(15-8-4-3-5-9-15)16-10-6-7-11-17(16)19(23)24;/h3-11,13-14H,12H2,1-2H3,(H2,21,22,25);1H2