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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30N6O4/c1-2-17-3-5-22(6-4-17)36-16-30-14-21(13-27-30)28-25(33)24-23(32(34)35)15-31(29-24)26-10-18-7-19(11-26)9-20(8-18)12-26/h3-6,13-15,18-20H,2,7-12,16H2,1H3,(H,28,33)