N-[[4-(2-bromanyl-4-cyano-1-methyl-pyrrol-3-yl)phenyl]methyl]-N-(4-methyl-3-nitro-pyridin-2-yl)butanamide

Systemtic Name: N-[[4-(2-bromanyl-4-cyano-1-methyl-pyrrol-3-yl)phenyl]methyl]-N-(4-methyl-3-nitro-pyridin-2-yl)butanamide Openeye Name: N-[[4-(2-bromo-4-cyano-1-methyl-pyrrol-3-yl)phenyl]methyl]-N-(4-methyl-3-nitro-2-pyridyl)butanamide CAS Name: N-[[4-(2-bromo-4-cyano-1-methyl-3-pyrrolyl)phenyl]methyl]-N-(4-methyl-3-nitro-2-pyridinyl)butanamide IUPAC Name: N-[[4-(2-bromo-4-cyano-1-methylpyrrol-3-yl)phenyl]methyl]-N-(4-methyl-3-nitropyridin-2-yl)butanamide Traditional Name: N-[4-(2-bromo-4-cyano-1-methyl-pyrrol-3-yl)benzyl]-N-(4-methyl-3-nitro-2-pyridyl)butyramide Formula: C23H22BrN5O3 MolecularWeight: 496.35648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN5O3/c1-4-5-19(30)28(23-21(29(31)32)15(2)10-11-26-23)13-16-6-8-17(9-7-16)20-18(12-25)14-27(3)22(20)24/h6-11,14H,4-5,13H2,1-3H3