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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)F)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)F)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26FN3O3/c1-17(2)14-27(24(29)20-10-9-18(3)23(13-20)28(30)31)16-22-8-5-11-26(22)15-19-6-4-7-21(25)12-19/h4-13,17H,14-16H2,1-3H3