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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(m-tolylmethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(3-methylbenzyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28N6O3/c1-16-3-2-4-17(5-16)13-29-14-21(12-26-29)27-24(32)23-22(31(33)34)15-30(28-23)25-9-18-6-19(10-25)8-20(7-18)11-25/h2-5,12,14-15,18-20H,6-11,13H2,1H3,(H,27,32)