N-[3-[[3-(chloromethyl)phenyl]carbonylamino]-1-adamantyl]-6-methyl-pyridine-2-carboxamide

Systemtic Name: N-[3-[[3-(chloromethyl)phenyl]carbonylamino]-1-adamantyl]-6-methyl-pyridine-2-carboxamide Openeye Name: N-[3-[[3-(chloromethyl)benzoyl]amino]-1-adamantyl]-6-methyl-pyridine-2-carboxamide CAS Name: N-[3-[[[3-(chloromethyl)phenyl]-oxomethyl]amino]-1-adamantyl]-6-methyl-2-pyridinecarboxamide IUPAC Name: N-[3-[[3-(chloromethyl)benzoyl]amino]-1-adamantyl]-6-methylpyridine-2-carboxamide Traditional Name: N-[3-[[3-(chloromethyl)benzoyl]amino]-1-adamantyl]-6-methyl-picolinamide Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC(=CC=C5)CCl

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC(=CC=C5)CCl

InChI

InChI=1S/C25H28ClN3O2/c1-16-4-2-7-21(27-16)23(31)29-25-12-18-8-19(13-25)11-24(10-18,15-25)28-22(30)20-6-3-5-17(9-20)14-26/h2-7,9,18-19H,8,10-15H2,1H3,(H,28,30)(H,29,31)