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

Systemtic Name: N-[5-bromanyl-6-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-nitro-pyridin-2-yl]pentanamide Openeye Name: N-[5-bromo-6-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-nitro-2-pyridyl]pentanamide CAS Name: N-[5-bromo-6-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-nitro-2-pyridinyl]pentanamide IUPAC Name: N-[5-bromo-6-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-nitropyridin-2-yl]pentanamide Traditional Name: N-[5-bromo-6-[4-(2-cyanophenyl)benzyl]-4-methyl-3-nitro-2-pyridyl]valeramide Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC(=C(C(=C1[N+](=O)[O-])C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC(=O)NC1=NC(=C(C(=C1[N+](=O)[O-])C)Br)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H23BrN4O3/c1-3-4-9-22(31)29-25-24(30(32)33)16(2)23(26)21(28-25)14-17-10-12-18(13-11-17)20-8-6-5-7-19(20)15-27/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,28,29,31)