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

Systemtic Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-cyclohexyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26FN3O3/c26-21-9-4-7-19(15-21)17-27-14-6-13-24(27)18-28(22-10-2-1-3-11-22)25(30)20-8-5-12-23(16-20)29(31)32/h4-9,12-16,22H,1-3,10-11,17-18H2