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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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