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

Systemtic Name: 4-chloranyl-N-[4-[3-[(2-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]benzamide Openeye Name: 4-chloro-N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]benzamide CAS Name: 4-chloro-N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide IUPAC Name: 4-chloro-N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide Traditional Name: 4-chloro-N-[4-[3-(2-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=C4C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4C#N

InChI

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