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

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-(3-nitro-4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acrylonitrile Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O3/c1-17(2)21-9-8-18(15-22(21)30(31)32)14-19(16-25)23-26-27-24(28-10-12-33-13-11-28)29(23)20-6-4-3-5-7-20/h3-9,14-15,17H,10-13H2,1-2H3/b19-14+