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

Systemtic Name: 3-cyano-N-[4-[2-oxidanylidene-3-(phenylmethyl)-1,3-diazinan-1-yl]phenyl]benzamide Openeye Name: N-[4-(3-benzyl-2-oxo-hexahydropyrimidin-1-yl)phenyl]-3-cyano-benzamide CAS Name: 3-cyano-N-[4-[2-oxo-3-(phenylmethyl)-1,3-diazinan-1-yl]phenyl]benzamide IUPAC Name: N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-cyanobenzamide Traditional Name: N-[4-(3-benzyl-2-keto-hexahydropyrimidin-1-yl)phenyl]-3-cyano-benzamide Formula: C25H22N4O2 MolecularWeight: 410.46778

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O2/c26-17-20-8-4-9-21(16-20)24(30)27-22-10-12-23(13-11-22)29-15-5-14-28(25(29)31)18-19-6-2-1-3-7-19/h1-4,6-13,16H,5,14-15,18H2,(H,27,30)