(E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-diethylphenyl)-3-(3-nitro-4-piperidino-phenyl)acrylamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C25H28N4O3/c1-3-19-9-8-10-20(4-2)24(19)27-25(30)21(17-26)15-18-11-12-22(23(16-18)29(31)32)28-13-6-5-7-14-28/h8-12,15-16H,3-7,13-14H2,1-2H3,(H,27,30)/b21-15+