3-(4-methylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-methylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-3-(p-tolyl)propanenitrile CAS Name: 3-(4-methylphenyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxopropanenitrile IUPAC Name: 3-(4-methylphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxopropanenitrile Traditional Name: 3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(p-tolyl)propionitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

InChI

InChI=1S/C22H21N5O2/c1-16-7-9-17(10-8-16)20(28)19(15-23)21-24-25-22(26-11-13-29-14-12-26)27(21)18-5-3-2-4-6-18/h2-10,24H,11-14H2,1H3