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

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-propyl-benzamide Openeye Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-propyl-benzamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-propylbenzamide IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-propylbenzamide Traditional Name: N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-4-nitro-N-propyl-benzamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-2-12-25(22(27)18-8-10-20(11-9-18)26(28)29)16-21-7-4-13-24(21)15-17-5-3-6-19(23)14-17/h3-11,13-14H,2,12,15-16H2,1H3