N-(2-methoxyethyl)-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-(2-methoxyethyl)-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide CAS Name: N-(2-methoxyethyl)-N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CCOC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CCOC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H39N3O3/c1-30-10-6-9-26(30)20-32(19-22-7-4-3-5-8-22)27(33)21-31(11-12-35-2)28(34)29-16-23-13-24(17-29)15-25(14-23)18-29/h3-10,23-25H,11-21H2,1-2H3