1-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(4-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29ClN6O3/c1-15-23(16(2)31(29-15)13-17-3-5-21(27)6-4-17)28-25(34)24-22(33(35)36)14-32(30-24)26-10-18-7-19(11-26)9-20(8-18)12-26/h3-6,14,18-20H,7-13H2,1-2H3,(H,28,34)