1-(1-adamantyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(1-naphthylmethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(1-naphthalenylmethyl)-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(1-naphthylmethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C28H28N6O3 MolecularWeight: 496.56032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)CC6=CC=CC7=CC=CC=C76)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)CC6=CC=CC7=CC=CC=C76)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O3/c35-27(30-23-14-29-32(16-23)15-22-6-3-5-21-4-1-2-7-24(21)22)26-25(34(36)37)17-33(31-26)28-11-18-8-19(12-28)10-20(9-18)13-28/h1-7,14,16-20H,8-13,15H2,(H,30,35)