N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)adamantane-1-carboxamide

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Openeye Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)adamantane-1-carboxamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-N-(3-methoxypropyl)-1-adamantanecarboxamide IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Traditional Name: N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Formula: C27H35FN2O2 MolecularWeight: 438.577403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FN2O2/c1-32-10-4-9-30(26(31)27-15-21-11-22(16-27)13-23(12-21)17-27)19-25-7-3-8-29(25)18-20-5-2-6-24(28)14-20/h2-3,5-8,14,21-23H,4,9-13,15-19H2,1H3