N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide Openeye Name: N-(2-methoxyethyl)-N-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]adamantane-1-carboxamide CAS Name: N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]adamantane-1-carboxamide Traditional Name: N-(2-methoxyethyl)-N-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]adamantane-1-carboxamide Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2CN(CCOC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2CN(CCOC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N2O2/c1-20-5-7-21(8-6-20)18-28-9-3-4-25(28)19-29(10-11-31-2)26(30)27-15-22-12-23(16-27)14-24(13-22)17-27/h3-9,22-24H,10-19H2,1-2H3