2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitro-4-piperidin-1-yl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-[3-nitro-4-(1-piperidyl)phenyl]-3-oxo-propanenitrile CAS Name: 2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-[3-nitro-4-(1-piperidinyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitro-4-piperidin-1-ylphenyl)-3-oxopropanenitrile Traditional Name: 3-keto-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-(3-nitro-4-piperidino-phenyl)propionitrile Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)C(C#N)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)C(C#N)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H27N7O4/c27-18-21(24(34)19-9-10-22(23(17-19)33(35)36)30-11-5-2-6-12-30)25-28-29-26(31-13-15-37-16-14-31)32(25)20-7-3-1-4-8-20/h1,3-4,7-10,17,21H,2,5-6,11-16H2