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

Systemtic Name: 3-cyano-N-[4-[3-[(2-fluorophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]benzamide Openeye Name: 3-cyano-N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]benzamide CAS Name: 3-cyano-N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide IUPAC Name: 3-cyano-N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide Traditional Name: 3-cyano-N-[4-[3-(2-fluorobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]benzamide Formula: C25H21FN4O2 MolecularWeight: 428.458243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)CC4=CC=CC=C4F

InChI

InChI=1S/C25H21FN4O2/c26-23-8-2-1-6-20(23)17-29-13-4-14-30(25(29)32)22-11-9-21(10-12-22)28-24(31)19-7-3-5-18(15-19)16-27/h1-3,5-12,15H,4,13-14,17H2,(H,28,31)