methyl 3-[2-oxidanylidene-6-phenyl-1-(2-piperidin-4-ylethyl)-1,3-diazinan-5-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[2-oxidanylidene-6-phenyl-1-(2-piperidin-4-ylethyl)-1,3-diazinan-5-yl]propanoate hydrochloride Openeye Name: methyl 3-[2-oxo-6-phenyl-1-[2-(4-piperidyl)ethyl]hexahydropyrimidin-5-yl]propanoate hydrochloride CAS Name: 3-[2-oxo-6-phenyl-1-[2-(4-piperidinyl)ethyl]-1,3-diazinan-5-yl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[2-oxo-6-phenyl-1-(2-piperidin-4-ylethyl)-1,3-diazinan-5-yl]propanoate hydrochloride Traditional Name: 3-[2-keto-6-phenyl-1-[2-(4-piperidyl)ethyl]hexahydropyrimidin-5-yl]propionic acid methyl ester hydrochloride Formula: C21H32ClN3O3 MolecularWeight: 409.95008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CNC(=O)N(C1C2=CC=CC=C2)CCC3CCNCC3.Cl

Isomeric SMILES

COC(=O)CCC1CNC(=O)N(C1C2=CC=CC=C2)CCC3CCNCC3.Cl

InChI

InChI=1S/C21H31N3O3.ClH/c1-27-19(25)8-7-18-15-23-21(26)24(14-11-16-9-12-22-13-10-16)20(18)17-5-3-2-4-6-17;/h2-6,16,18,20,22H,7-15H2,1H3,(H,23,26);1H