ethanedioic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide; hydrate

Systemtic Name: ethanedioic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide; hydrate Openeye Name: oxalic acid; N-[2-(3-phenethylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; hydrate CAS Name: oxalic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; hydrate IUPAC Name: oxalic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; hydrate Traditional Name: oxalic acid; N-[2-(3-phenethylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; hydrate Formula: C25H35N3O6 MolecularWeight: 473.5619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCN1CCCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCC(=O)N(CCN1CCCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C23H31N3O.C2H2O4.H2O/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21;3-1(4)2(5)6;/h3-8,10-13H,2,9,14-20H2,1H3;(H,3,4)(H,5,6);1H2