1-(1-adamantyl)-N-[(4-methylphenyl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[(4-methylphenyl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(p-tolylmethyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(4-methylphenyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(4-methylphenyl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-methylbenzyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-14-2-4-15(5-3-14)12-23-21(27)20-19(26(28)29)13-25(24-20)22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,13,16-18H,6-12H2,1H3,(H,23,27)