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

Systemtic Name: (E)-3-(1-methylpyrrol-2-yl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(1-methylpyrrol-2-yl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-(1-methyl-2-pyrrolyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-(1-methylpyrrol-2-yl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(1-methylpyrrol-2-yl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CN1C=CC=C1/C=C(\C#N)/C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H20N6O/c1-24-9-5-8-18(24)14-16(15-21)19-22-23-20(25-10-12-27-13-11-25)26(19)17-6-3-2-4-7-17/h2-9,14H,10-13H2,1H3/b16-14+