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

Systemtic Name: (E)-3-(2-methoxyphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-methoxyphenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-(2-methoxyphenyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-(2-methoxyphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-methoxyphenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C#N)/C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H21N5O2/c1-28-20-10-6-5-7-17(20)15-18(16-23)21-24-25-22(26-11-13-29-14-12-26)27(21)19-8-3-2-4-9-19/h2-10,15H,11-14H2,1H3/b18-15+