2-(1-adamantyl)-N-(2,4-dimethyl-6-nitro-phenyl)pyridine-4-carboxamide

Systemtic Name: 2-(1-adamantyl)-N-(2,4-dimethyl-6-nitro-phenyl)pyridine-4-carboxamide Openeye Name: 2-(1-adamantyl)-N-(2,4-dimethyl-6-nitro-phenyl)pyridine-4-carboxamide CAS Name: 2-(1-adamantyl)-N-(2,4-dimethyl-6-nitrophenyl)-4-pyridinecarboxamide IUPAC Name: 2-(1-adamantyl)-N-(2,4-dimethyl-6-nitrophenyl)pyridine-4-carboxamide Traditional Name: 2-(1-adamantyl)-N-(2,4-dimethyl-6-nitro-phenyl)isonicotinamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=CC(=NC=C2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H27N3O3/c1-14-5-15(2)22(20(6-14)27(29)30)26-23(28)19-3-4-25-21(10-19)24-11-16-7-17(12-24)9-18(8-16)13-24/h3-6,10,16-18H,7-9,11-13H2,1-2H3,(H,26,28)