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

Systemtic Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide; ethanedioic acid; hydrate Openeye Name: N-[2-(3-butylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid; hydrate CAS Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid; hydrate IUPAC Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid; hydrate Traditional Name: N-[2-(3-butylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid; hydrate Formula: C21H35N3O6 MolecularWeight: 425.5191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(C1)CCN(C2=CC=CC=C2)C(=O)CC.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCCCN1CCCN(C1)CCN(C2=CC=CC=C2)C(=O)CC.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C19H31N3O.C2H2O4.H2O/c1-3-5-12-20-13-9-14-21(17-20)15-16-22(19(23)4-2)18-10-7-6-8-11-18;3-1(4)2(5)6;/h6-8,10-11H,3-5,9,12-17H2,1-2H3;(H,3,4)(H,5,6);1H2