N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)adamantane-1-carboxamide

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)adamantane-1-carboxamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-isobutyl-adamantane-1-carboxamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-(2-methylpropyl)-1-adamantanecarboxamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)adamantane-1-carboxamide Traditional Name: N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-isobutyl-adamantane-1-carboxamide Formula: C27H35ClN2O MolecularWeight: 439.0326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35ClN2O/c1-19(2)16-30(26(31)27-13-21-9-22(14-27)11-23(10-21)15-27)18-25-7-4-8-29(25)17-20-5-3-6-24(28)12-20/h3-8,12,19,21-23H,9-11,13-18H2,1-2H3