N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-butyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C24H26FN3O3 MolecularWeight: 423.479943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26FN3O3/c1-3-4-12-27(24(29)20-11-10-18(2)23(15-20)28(30)31)17-22-9-6-13-26(22)16-19-7-5-8-21(25)14-19/h5-11,13-15H,3-4,12,16-17H2,1-2H3