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

Systemtic Name: (E)-3-[4-(diethylamino)phenyl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Openeye Name: (E)-3-[4-(diethylamino)phenyl]-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-[4-(diethylamino)phenyl]-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-propenenitrile IUPAC Name: (E)-3-[4-(diethylamino)phenyl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile Traditional Name: (E)-3-[4-(diethylamino)phenyl]-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O/c1-3-29(4-2)22-12-10-20(11-13-22)18-21(19-26)24-27-28-25(30-14-16-32-17-15-30)31(24)23-8-6-5-7-9-23/h5-13,18H,3-4,14-17H2,1-2H3/b21-18+