3-[(2S,4S)-2-tert-butyl-1-methyl-6-oxidanylidene-3-(phenylcarbonyl)-1,3-diazinan-4-yl]propanenitrile

Systemtic Name: 3-[(2S,4S)-2-tert-butyl-1-methyl-6-oxidanylidene-3-(phenylcarbonyl)-1,3-diazinan-4-yl]propanenitrile Openeye Name: 3-[(2S,4S)-3-benzoyl-2-tert-butyl-1-methyl-6-oxo-hexahydropyrimidin-4-yl]propanenitrile CAS Name: 3-[(2S,4S)-3-benzoyl-2-tert-butyl-1-methyl-6-oxo-1,3-diazinan-4-yl]propanenitrile IUPAC Name: 3-[(2S,4S)-3-benzoyl-2-tert-butyl-1-methyl-6-oxo-1,3-diazinan-4-yl]propanenitrile Traditional Name: 3-[(2S,4S)-3-benzoyl-2-tert-butyl-6-keto-1-methyl-hexahydropyrimidin-4-yl]propionitrile Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C(=O)CC(N1C(=O)C2=CC=CC=C2)CCC#N)C

Isomeric SMILES

CC(C)(C)[C@H]1N(C(=O)C[C@@H](N1C(=O)C2=CC=CC=C2)CCC#N)C

InChI

InChI=1S/C19H25N3O2/c1-19(2,3)18-21(4)16(23)13-15(11-8-12-20)22(18)17(24)14-9-6-5-7-10-14/h5-7,9-10,15,18H,8,11,13H2,1-4H3/t15-,18-/m0/s1