N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethyl-hexanamide

Systemtic Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethyl-hexanamide Openeye Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethyl-hexanamide CAS Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3,5,5-trimethylhexanamide IUPAC Name: N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5,5-trimethylhexanamide Traditional Name: N-cyclohexyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3,5,5-trimethyl-hexanamide Formula: C27H39FN2O MolecularWeight: 426.609763

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N(CC1=CC=CN1CC2=CC(=CC=C2)F)C3CCCCC3)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N(CC1=CC=CN1CC2=CC(=CC=C2)F)C3CCCCC3)CC(C)(C)C

InChI

InChI=1S/C27H39FN2O/c1-21(18-27(2,3)4)16-26(31)30(24-12-6-5-7-13-24)20-25-14-9-15-29(25)19-22-10-8-11-23(28)17-22/h8-11,14-15,17,21,24H,5-7,12-13,16,18-20H2,1-4H3