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

Systemtic Name: 1-(1-adamantyl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-[(3-chlorophenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(3-chlorobenzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H25ClN6O3 MolecularWeight: 480.9467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=CC(=CC=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5)CC6=CC(=CC=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H25ClN6O3/c25-19-3-1-2-15(9-19)13-29-5-4-21(27-29)26-23(32)22-20(31(33)34)14-30(28-22)24-10-16-6-17(11-24)8-18(7-16)12-24/h1-5,9,14,16-18H,6-8,10-13H2,(H,26,27,32)