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

Systemtic Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O3/c1-2-3-12-26(23(28)19-8-5-10-21(15-19)27(29)30)17-22-11-6-13-25(22)16-18-7-4-9-20(24)14-18/h4-11,13-15H,2-3,12,16-17H2,1H3