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

Systemtic Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[3-(3-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-3-methyl-benzamide Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H24N4O2/c1-19-5-2-8-22(15-19)25(31)28-23-9-11-24(12-10-23)30-14-4-13-29(26(30)32)18-21-7-3-6-20(16-21)17-27/h2-3,5-12,15-16H,4,13-14,18H2,1H3,(H,28,31)