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

Systemtic Name: N-[[4-(2-cyano-4-methyl-pyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitro-pyridin-2-yl)butanamide Openeye Name: N-[[4-(2-cyano-4-methyl-pyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitro-2-pyridyl)butanamide CAS Name: N-[[4-(2-cyano-4-methyl-1-pyrrolyl)phenyl]methyl]-N-(4-methyl-3-nitro-2-pyridinyl)butanamide IUPAC Name: N-[[4-(2-cyano-4-methylpyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitropyridin-2-yl)butanamide Traditional Name: N-[4-(2-cyano-4-methyl-pyrrol-1-yl)benzyl]-N-(4-methyl-3-nitro-2-pyridyl)butyramide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=C(C=C1)N2C=C(C=C2C#N)C)C3=NC=CC(=C3[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N(CC1=CC=C(C=C1)N2C=C(C=C2C#N)C)C3=NC=CC(=C3[N+](=O)[O-])C

InChI

InChI=1S/C23H23N5O3/c1-4-5-21(29)27(23-22(28(30)31)17(3)10-11-25-23)15-18-6-8-19(9-7-18)26-14-16(2)12-20(26)13-24/h6-12,14H,4-5,15H2,1-3H3