N-[5-[[4-(2-cyanophenyl)phenyl]methyl]-4,6-dimethyl-3-nitro-pyridin-2-yl]pentanamide

Systemtic Name: N-[5-[[4-(2-cyanophenyl)phenyl]methyl]-4,6-dimethyl-3-nitro-pyridin-2-yl]pentanamide Openeye Name: N-[5-[[4-(2-cyanophenyl)phenyl]methyl]-4,6-dimethyl-3-nitro-2-pyridyl]pentanamide CAS Name: N-[5-[[4-(2-cyanophenyl)phenyl]methyl]-4,6-dimethyl-3-nitro-2-pyridinyl]pentanamide IUPAC Name: N-[5-[[4-(2-cyanophenyl)phenyl]methyl]-4,6-dimethyl-3-nitropyridin-2-yl]pentanamide Traditional Name: N-[5-[4-(2-cyanophenyl)benzyl]-4,6-dimethyl-3-nitro-2-pyridyl]valeramide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3/c1-4-5-10-24(31)29-26-25(30(32)33)17(2)23(18(3)28-26)15-19-11-13-20(14-12-19)22-9-7-6-8-21(22)16-27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,28,29,31)