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

Systemtic Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide Openeye Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide CAS Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide Traditional Name: N-butyl-N-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]adamantane-1-carboxamide Formula: C27H35ClN2O MolecularWeight: 439.0326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35ClN2O/c1-2-3-10-30(26(31)27-15-20-12-21(16-27)14-22(13-20)17-27)19-24-8-6-11-29(24)18-23-7-4-5-9-25(23)28/h4-9,11,20-22H,2-3,10,12-19H2,1H3