1-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C30H30N6O3 MolecularWeight: 522.5976

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C30H30N6O3/c37-29(28-26(36(38)39)19-35(33-28)30-14-20-11-21(15-30)13-22(12-20)16-30)31-17-24-18-34(25-9-5-2-6-10-25)32-27(24)23-7-3-1-4-8-23/h1-10,18-22H,11-17H2,(H,31,37)