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

Systemtic Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-2-phenyl-butanamide Openeye Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-2-phenyl-butanamide CAS Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide IUPAC Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide Traditional Name: N-[4-[3-(3-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(=C4)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=CC(=C4)C#N

InChI

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