N-(2-adamantyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O3/c1-11-19(26(28)29)12(2)25(22-11)10-24-4-3-17(23-24)20(27)21-18-15-6-13-5-14(8-15)9-16(18)7-13/h3-4,13-16,18H,5-10H2,1-2H3,(H,21,27)