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

Systemtic Name: 1-(1-adamantyl)-N-(4-methoxyphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-methoxyphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-methoxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-methoxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-methoxyphenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N4O4/c1-29-17-4-2-16(3-5-17)22-20(26)19-18(25(27)28)12-24(23-19)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H,22,26)