dimethyl 4-oxidanyl-5-(3-phenylpropylamino)-1,2-diazinane-1,2-dicarboxylate hydrochloride

Systemtic Name: dimethyl 4-oxidanyl-5-(3-phenylpropylamino)-1,2-diazinane-1,2-dicarboxylate hydrochloride Openeye Name: dimethyl 4-hydroxy-5-(3-phenylpropylamino)hexahydropyridazine-1,2-dicarboxylate hydrochloride CAS Name: 4-hydroxy-5-(3-phenylpropylamino)diazinane-1,2-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 4-hydroxy-5-(3-phenylpropylamino)diazinane-1,2-dicarboxylate hydrochloride Traditional Name: 4-hydroxy-5-(3-phenylpropylamino)hexahydropyridazine-1,2-dicarboxylic acid dimethyl ester hydrochloride Formula: C17H26ClN3O5 MolecularWeight: 387.85844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC(C(CN1C(=O)OC)O)NCCCC2=CC=CC=C2.Cl

Isomeric SMILES

COC(=O)N1CC(C(CN1C(=O)OC)O)NCCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H25N3O5.ClH/c1-24-16(22)19-11-14(15(21)12-20(19)17(23)25-2)18-10-6-9-13-7-4-3-5-8-13;/h3-5,7-8,14-15,18,21H,6,9-12H2,1-2H3;1H