1-(1-adamantyl)-4-nitro-N-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-benzyl-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-benzyl-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-benzyl-4-nitro-pyrazole-3-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c26-20(22-12-14-4-2-1-3-5-14)19-18(25(27)28)13-24(23-19)21-9-15-6-16(10-21)8-17(7-15)11-21/h1-5,13,15-17H,6-12H2,(H,22,26)