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

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-benzyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C27H24FN3O3/c1-20-12-13-23(16-26(20)31(33)34)27(32)30(17-21-7-3-2-4-8-21)19-25-11-6-14-29(25)18-22-9-5-10-24(28)15-22/h2-16H,17-19H2,1H3