1-(1-adamantyl)-N-(2-methyl-6-propan-2-yl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(2-methyl-6-propan-2-yl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-isopropyl-6-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-isopropyl-6-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O3/c1-14(2)19-6-4-5-15(3)21(19)25-23(29)22-20(28(30)31)13-27(26-22)24-10-16-7-17(11-24)9-18(8-16)12-24/h4-6,13-14,16-18H,7-12H2,1-3H3,(H,25,29)