N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide Openeye Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide CAS Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide Traditional Name: N-butyl-N-[(1-m-anisylpyrrol-2-yl)methyl]adamantane-1-carboxamide Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)OC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)OC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38N2O2/c1-3-4-10-30(27(31)28-16-22-12-23(17-28)14-24(13-22)18-28)20-25-8-6-11-29(25)19-21-7-5-9-26(15-21)32-2/h5-9,11,15,22-24H,3-4,10,12-14,16-20H2,1-2H3