N-[4-(1-adamantyl)-2-chloranyl-phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-2-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(1-adamantyl)-2-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-2-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[4-(1-adamantyl)-2-chloro-phenyl]nicotinamide Formula: C22H23ClN2O MolecularWeight: 366.88382

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)NC(=O)C5=CN=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)NC(=O)C5=CN=CC=C5)Cl

InChI

InChI=1S/C22H23ClN2O/c23-19-9-18(22-10-14-6-15(11-22)8-16(7-14)12-22)3-4-20(19)25-21(26)17-2-1-5-24-13-17/h1-5,9,13-16H,6-8,10-12H2,(H,25,26)