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

Systemtic Name: 1-oxidanyl-1-[2-[[1-oxidanylidene-2-(3-phenoxypropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Openeye Name: 1-hydroxy-1-[2-[[1-oxo-2-(3-phenoxypropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea CAS Name: 1-hydroxy-1-[2-[[1-oxo-2-(3-phenoxypropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea IUPAC Name: 1-hydroxy-1-[2-[[1-oxo-2-(3-phenoxypropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Traditional Name: 1-hydroxy-1-[2-[[1-keto-2-(3-phenoxypropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5/c22-21(26)24(27)12-14-29-18-7-8-19-16(15-18)9-11-23(20(19)25)10-4-13-28-17-5-2-1-3-6-17/h1-3,5-8,15,27H,4,9-14H2,(H2,22,26)