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

Systemtic Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[3-(2-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]cyclopropanecarboxamide Formula: C22H22N4O2 MolecularWeight: 374.43568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CC3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CC3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4O2/c23-14-17-4-1-2-5-18(17)15-25-12-3-13-26(22(25)28)20-10-8-19(9-11-20)24-21(27)16-6-7-16/h1-2,4-5,8-11,16H,3,6-7,12-13,15H2,(H,24,27)