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

Systemtic Name: 1-oxidanyl-1-[2-[[1-oxidanylidene-2-(3-pyridin-3-ylpropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Openeye Name: 1-hydroxy-1-[2-[[1-oxo-2-[3-(3-pyridyl)propyl]-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea CAS Name: 1-hydroxy-1-[2-[[1-oxo-2-[3-(3-pyridinyl)propyl]-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea IUPAC Name: 1-hydroxy-1-[2-[[1-oxo-2-(3-pyridin-3-ylpropyl)-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Traditional Name: 1-hydroxy-1-[2-[[1-keto-2-[3-(3-pyridyl)propyl]-3,4-dihydroisoquinolin-6-yl]oxy]ethyl]urea Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCC3=CN=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCCN(C(=O)N)O)CCCC3=CN=CC=C3

InChI

InChI=1S/C20H24N4O4/c21-20(26)24(27)11-12-28-17-5-6-18-16(13-17)7-10-23(19(18)25)9-2-4-15-3-1-8-22-14-15/h1,3,5-6,8,13-14,27H,2,4,7,9-12H2,(H2,21,26)