3-[[(4R,5R,6R)-5-oxidanyl-2-oxidanylidene-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(4R,5R,6R)-5-oxidanyl-2-oxidanylidene-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-oxo-4-phenethyl-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[(4R,5R,6R)-5-hydroxy-2-oxo-4-phenethyl-6-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-oxo-4-phenethyl-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 3-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-keto-4-phenethyl-hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(C(N(C(=O)N2)CC3=CC=CC(=C3)C#N)CC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2)CC3=CC=CC(=C3)C#N)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H27N3O2/c28-18-22-12-7-13-23(16-22)19-30-25(17-21-10-5-2-6-11-21)26(31)24(29-27(30)32)15-14-20-8-3-1-4-9-20/h1-13,16,24-26,31H,14-15,17,19H2,(H,29,32)/t24-,25-,26-/m1/s1