1-oxidanyl-1-[3-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-6-yl]oxypropyl]urea

Systemtic Name: 1-oxidanyl-1-[3-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-6-yl]oxypropyl]urea Openeye Name: 1-[3-[(2-benzyl-1-oxo-6-isoquinolyl)oxy]propyl]-1-hydroxy-urea CAS Name: 1-hydroxy-1-[3-[[1-oxo-2-(phenylmethyl)-6-isoquinolinyl]oxy]propyl]urea IUPAC Name: 1-[3-(2-benzyl-1-oxoisoquinolin-6-yl)oxypropyl]-1-hydroxyurea Traditional Name: 1-[3-[(2-benzyl-1-keto-6-isoquinolyl)oxy]propyl]-1-hydroxy-urea Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC(=C3)OCCCN(C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC(=C3)OCCCN(C(=O)N)O

InChI

InChI=1S/C20H21N3O4/c21-20(25)23(26)10-4-12-27-17-7-8-18-16(13-17)9-11-22(19(18)24)14-15-5-2-1-3-6-15/h1-3,5-9,11,13,26H,4,10,12,14H2,(H2,21,25)