1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-[(2-ethoxyphenyl)methyl]-3-(2-isobutyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-(2-ethoxybenzyl)-3-(2-isobutyl-1-keto-4-isoquinolyl)urea Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C23H27N3O3/c1-4-29-21-12-8-5-9-17(21)13-24-23(28)25-20-15-26(14-16(2)3)22(27)19-11-7-6-10-18(19)20/h5-12,15-16H,4,13-14H2,1-3H3,(H2,24,25,28)