N-[4-oxidanylidene-4-[[phenyl(pyridin-2-yl)methyl]amino]butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[phenyl(pyridin-2-yl)methyl]amino]butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-[[phenyl(2-pyridyl)methyl]amino]butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[[phenyl(2-pyridinyl)methyl]amino]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-[[phenyl(pyridin-2-yl)methyl]amino]butyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[[phenyl(2-pyridyl)methyl]amino]butyl]adamantane-1-carboxamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H33N3O2/c31-24(30-25(22-7-2-1-3-8-22)23-9-4-5-11-28-23)10-6-12-29-26(32)27-16-19-13-20(17-27)15-21(14-19)18-27/h1-5,7-9,11,19-21,25H,6,10,12-18H2,(H,29,32)(H,30,31)