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

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC(=C5)CN6C=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC(=C5)CN6C=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O3/c31-23(26-20-4-1-3-16(10-20)14-28-6-2-5-25-28)22-21(30(32)33)15-29(27-22)24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,15,17-19H,7-9,11-14H2,(H,26,31)