N-[[4-(pyridin-4-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(pyridin-4-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-pyridylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-(pyridin-4-ylmethylamino)methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(pyridin-4-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-pyridylmethylcarbamoyl)benzyl]adamantane-1-carboxamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=CC=NC=C5

InChI

InChI=1S/C25H29N3O2/c29-23(27-15-18-5-7-26-8-6-18)22-3-1-17(2-4-22)16-28-24(30)25-12-19-9-20(13-25)11-21(10-19)14-25/h1-8,19-21H,9-16H2,(H,27,29)(H,28,30)