1-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N7O3/c1-15-2-4-16(5-3-15)12-29-14-25-23(28-29)26-22(32)21-20(31(33)34)13-30(27-21)24-9-17-6-18(10-24)8-19(7-17)11-24/h2-5,13-14,17-19H,6-12H2,1H3,(H,26,28,32)