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

Systemtic Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-3-cyano-benzamide Openeye Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-3-cyano-benzamide CAS Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide IUPAC Name: N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-cyanobenzamide Traditional Name: N-[4-[3-(3-chlorobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-3-cyano-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=CC(=C3)C#N)CC4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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