N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-adamantane-1-carboxamide

Systemtic Name: N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-adamantane-1-carboxamide Openeye Name: N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-adamantane-1-carboxamide CAS Name: N-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl]-N-pentyl-1-adamantanecarboxamide IUPAC Name: N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyladamantane-1-carboxamide Traditional Name: N-amyl-N-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]adamantane-1-carboxamide Formula: C28H37FN2O MolecularWeight: 436.604583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=C(C=C2)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=C(C=C2)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H37FN2O/c1-2-3-4-11-31(27(32)28-16-22-13-23(17-28)15-24(14-22)18-28)20-26-6-5-12-30(26)19-21-7-9-25(29)10-8-21/h5-10,12,22-24H,2-4,11,13-20H2,1H3