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

Systemtic Name: methyl 3-[4-[3-(4-cyanophenyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-cyanophenyl)-2-oxo-hexahydropyrimidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-cyanophenyl)-2-oxo-1,3-diazinan-1-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-cyanophenyl)-2-oxo-1,3-diazinan-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-cyanophenyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]propionic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCCN(C2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCCN(C2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O3/c1-27-20(25)12-7-16-3-8-18(9-4-16)23-13-2-14-24(21(23)26)19-10-5-17(15-22)6-11-19/h3-6,8-11H,2,7,12-14H2,1H3