(E)-3-(3-methylphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-methylphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(m-tolyl)prop-2-enenitrile CAS Name: (E)-3-(3-methylphenyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-(3-methylphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(m-tolyl)acrylonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O/c1-17-6-5-7-18(14-17)15-19(16-23)21-24-25-22(26-10-12-28-13-11-26)27(21)20-8-3-2-4-9-20/h2-9,14-15H,10-13H2,1H3/b19-15+