1-oxidanyl-1-[2-[[1-oxidanylidene-2-(4-phenylbutyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea

Systemtic Name: 1-oxidanyl-1-[2-[[1-oxidanylidene-2-(4-phenylbutyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Openeye Name: 1-hydroxy-1-[2-[[1-oxo-2-(4-phenylbutyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea CAS Name: 1-hydroxy-1-[2-[[1-oxo-2-(4-phenylbutyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea IUPAC Name: 1-hydroxy-1-[2-[[1-oxo-2-(4-phenylbutyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Traditional Name: 1-hydroxy-1-[2-[[1-keto-2-(4-phenylbutyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c23-22(27)25(28)14-15-29-19-9-10-20-18(16-19)11-13-24(21(20)26)12-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,28H,4-5,8,11-15H2,(H2,23,27)