1-(1-adamantyl)-4-nitro-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c26-19(22-11-13-2-1-3-21-10-13)18-17(25(27)28)12-24(23-18)20-7-14-4-15(8-20)6-16(5-14)9-20/h1-3,10,12,14-16H,4-9,11H2,(H,22,26)