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

Systemtic Name: ethanedioic acid; N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide; hydrate Openeye Name: N-[2-(3-isopropylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid; hydrate CAS Name: oxalic acid; N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide; hydrate IUPAC Name: oxalic acid; N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide; hydrate Traditional Name: N-[2-(3-isopropylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid; hydrate Formula: C20H33N3O6 MolecularWeight: 411.49252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O.C2H2O4.H2O/c1-4-18(22)21(17-9-6-5-7-10-17)14-13-19-11-8-12-20(15-19)16(2)3;3-1(4)2(5)6;/h5-7,9-10,16H,4,8,11-15H2,1-3H3;(H,3,4)(H,5,6);1H2