1-oxidanyl-1-[2-[[1-oxidanylidene-2-(5-phenylpentyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea

Systemtic Name: 1-oxidanyl-1-[2-[[1-oxidanylidene-2-(5-phenylpentyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Openeye Name: 1-hydroxy-1-[2-[[1-oxo-2-(5-phenylpentyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea CAS Name: 1-hydroxy-1-[2-[[1-oxo-2-(5-phenylpentyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea IUPAC Name: 1-hydroxy-1-[2-[[1-oxo-2-(5-phenylpentyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Traditional Name: 1-hydroxy-1-[2-[[1-keto-2-(5-phenylpentyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c24-23(28)26(29)15-16-30-20-10-11-21-19(17-20)12-14-25(22(21)27)13-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-11,17,29H,2,5-6,9,12-16H2,(H2,24,28)