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

Systemtic Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide; ethanedioic acid Openeye Name: N-[2-(3-butylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid IUPAC Name: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid Traditional Name: N-[2-(3-butylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid Formula: C23H35N3O9 MolecularWeight: 497.5387

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O.2C2H2O4/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;2*3-1(4)2(5)6/h6-8,10-11H,3-5,9,12-17H2,1-2H3;2*(H,3,4)(H,5,6)