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

Systemtic Name: 4-chloranyl-N-[3-[3-[(4-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]benzamide Openeye Name: 4-chloro-N-[3-[3-[(4-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]benzamide CAS Name: 4-chloro-N-[3-[3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide IUPAC Name: 4-chloro-N-[3-[3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide Traditional Name: 4-chloro-N-[3-[3-(4-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]benzamide Formula: C25H21ClN4O2 MolecularWeight: 444.91284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21ClN4O2/c26-21-11-9-20(10-12-21)24(31)28-22-3-1-4-23(15-22)30-14-2-13-29(25(30)32)17-19-7-5-18(16-27)6-8-19/h1,3-12,15H,2,13-14,17H2,(H,28,31)