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

Systemtic Name: ethanedioic acid; N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide; hydrate Openeye Name: N-[2-(3-methylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid; hydrate CAS Name: N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid; hydrate IUPAC Name: N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid; hydrate Traditional Name: N-[2-(3-methylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid; hydrate Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O.C2H2O4.H2O/c1-3-16(20)19(15-8-5-4-6-9-15)13-12-18-11-7-10-17(2)14-18;3-1(4)2(5)6;/h4-6,8-9H,3,7,10-14H2,1-2H3;(H,3,4)(H,5,6);1H2