5-bromanyl-1-methyl-3-(4-methyl-3-nitro-pyridin-2-yl)-3-phenyl-2H-pyrrole-4-carbonitrile; N-methylbutanamide

Systemtic Name: 5-bromanyl-1-methyl-3-(4-methyl-3-nitro-pyridin-2-yl)-3-phenyl-2H-pyrrole-4-carbonitrile; N-methylbutanamide Openeye Name: 5-bromo-1-methyl-3-(4-methyl-3-nitro-2-pyridyl)-3-phenyl-2H-pyrrole-4-carbonitrile; N-methylbutanamide CAS Name: 5-bromo-1-methyl-3-(4-methyl-3-nitro-2-pyridinyl)-3-phenyl-2H-pyrrole-4-carbonitrile; N-methylbutanamide IUPAC Name: 5-bromo-1-methyl-3-(4-methyl-3-nitropyridin-2-yl)-3-phenyl-2H-pyrrole-4-carbonitrile; N-methylbutanamide Traditional Name: 2-bromo-1-methyl-4-(4-methyl-3-nitro-2-pyridyl)-4-phenyl-2-pyrroline-3-carbonitrile; N-methylbutyramide Formula: C23H26BrN5O3 MolecularWeight: 500.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O2.C5H11NO/c1-12-8-9-21-16(15(12)23(24)25)18(13-6-4-3-5-7-13)11-22(2)17(19)14(18)10-20;1-3-4-5(7)6-2/h3-9H,11H2,1-2H3;3-4H2,1-2H3,(H,6,7)