N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-2-methoxy-ethanamide

Systemtic Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-2-methoxy-ethanamide Openeye Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-2-methoxy-acetamide CAS Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxyacetamide IUPAC Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methoxyacetamide Traditional Name: N-[4-[3-(3-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-2-methoxy-acetamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC=C(C=C1)N2CCCN(C2=O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COCC(=O)NC1=CC=C(C=C1)N2CCCN(C2=O)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N4O3/c1-28-15-20(26)23-18-6-8-19(9-7-18)25-11-3-10-24(21(25)27)14-17-5-2-4-16(12-17)13-22/h2,4-9,12H,3,10-11,14-15H2,1H3,(H,23,26)