4-[(2-methyl-2-phenyl-propanoyl)amino]-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide

Systemtic Name: 4-[(2-methyl-2-phenyl-propanoyl)amino]-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide Openeye Name: 4-[(2-methyl-2-phenyl-propanoyl)amino]-N-(3-pyridylmethyl)adamantane-1-carboxamide CAS Name: 4-[(2-methyl-1-oxo-2-phenylpropyl)amino]-N-(3-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: 4-[(2-methyl-2-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide Traditional Name: 4-[(2-methyl-2-phenyl-propanoyl)amino]-N-(3-pyridylmethyl)adamantane-1-carboxamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H33N3O2/c1-26(2,22-8-4-3-5-9-22)24(31)30-23-20-11-19-12-21(23)15-27(13-19,14-20)25(32)29-17-18-7-6-10-28-16-18/h3-10,16,19-21,23H,11-15,17H2,1-2H3,(H,29,32)(H,30,31)