(E)-2-cyano-3-(3-nitro-4-piperidin-1-yl-phenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-nitro-4-piperidin-1-yl-phenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-nitro-4-(1-piperidyl)phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-nitro-4-(1-piperidinyl)phenyl]-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-nitro-4-piperidin-1-ylphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-nitro-4-piperidino-phenyl)-N-[(1R)-1-phenylethyl]acrylamide Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3/c1-17(19-8-4-2-5-9-19)25-23(28)20(16-24)14-18-10-11-21(22(15-18)27(29)30)26-12-6-3-7-13-26/h2,4-5,8-11,14-15,17H,3,6-7,12-13H2,1H3,(H,25,28)/b20-14+/t17-/m1/s1