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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-(2-isobutyl-1-oxo-4-isoquinolyl)-3-[(3-methoxyphenyl)methyl]urea CAS Name: 1-[(3-methoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-[(3-methoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-(2-isobutyl-1-keto-4-isoquinolyl)-3-m-anisyl-urea Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25N3O3/c1-15(2)13-25-14-20(18-9-4-5-10-19(18)21(25)26)24-22(27)23-12-16-7-6-8-17(11-16)28-3/h4-11,14-15H,12-13H2,1-3H3,(H2,23,24,27)