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

Systemtic Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-cyclohexyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C26H28FN3O3 MolecularWeight: 449.517223

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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)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H28FN3O3/c1-19-12-13-21(16-25(19)30(32)33)26(31)29(23-9-3-2-4-10-23)18-24-11-6-14-28(24)17-20-7-5-8-22(27)15-20/h5-8,11-16,23H,2-4,9-10,17-18H2,1H3