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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=NC(=C(C(=C3[N+](=O)[O-])C)Br)C

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=NC(=C(C(=C3[N+](=O)[O-])C)Br)C

InChI

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