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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O2/c23-14-16-2-4-17(5-3-16)15-25-12-1-13-26(22(25)28)20-10-8-19(9-11-20)24-21(27)18-6-7-18/h2-5,8-11,18H,1,6-7,12-13,15H2,(H,24,27)