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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

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/h2-10,19H,11-14H2,1H3