N-[4-(3-bromanyl-1-adamantyl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-(3-bromanyl-1-adamantyl)phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(3-bromo-1-adamantyl)phenyl]pyridine-3-carboxamide CAS Name: N-[4-(3-bromo-1-adamantyl)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(3-bromo-1-adamantyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[4-(3-bromo-1-adamantyl)phenyl]nicotinamide Formula: C22H23BrN2O MolecularWeight: 411.33482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C4=CC=C(C=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C4=CC=C(C=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C22H23BrN2O/c23-22-11-15-8-16(12-22)10-21(9-15,14-22)18-3-5-19(6-4-18)25-20(26)17-2-1-7-24-13-17/h1-7,13,15-16H,8-12,14H2,(H,25,26)