(E)-3-(4-methoxyphenyl)-2-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-methoxyphenyl)-2-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-methoxyphenyl)-2-(3-morpholino-1H-1,2,4-triazol-5-yl)prop-2-enenitrile CAS Name: (E)-3-(4-methoxyphenyl)-2-[3-(4-morpholinyl)-1H-1,2,4-triazol-5-yl]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxyphenyl)-2-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-methoxyphenyl)-2-(3-morpholino-1H-1,2,4-triazol-5-yl)acrylonitrile Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=NC(=NN2)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=NN2)N3CCOCC3

InChI

InChI=1S/C16H17N5O2/c1-22-14-4-2-12(3-5-14)10-13(11-17)15-18-16(20-19-15)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,18,19,20)/b13-10+