4,4-dimethyl-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxopentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)valeronitrile Formula: C19H23N5O2 MolecularWeight: 353.41822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C19H23N5O2/c1-19(2,3)16(25)15(13-20)17-21-22-18(23-9-11-26-12-10-23)24(17)14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3