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

Systemtic Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-2-phenyl-butanamide Openeye Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-2-phenyl-butanamide CAS Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide IUPAC Name: N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide Traditional Name: N-[4-[3-(2-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-2-phenyl-butyramide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC=C4C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC=C4C#N

InChI

InChI=1S/C28H28N4O2/c1-2-26(21-9-4-3-5-10-21)27(33)30-24-13-15-25(16-14-24)32-18-8-17-31(28(32)34)20-23-12-7-6-11-22(23)19-29/h3-7,9-16,26H,2,8,17-18,20H2,1H3,(H,30,33)