1-(1-adamantyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[5-[[(1,5-dimethyl-4-pyrazolyl)amino]-oxomethyl]-1-ethyl-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C25H31N9O4 MolecularWeight: 521.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)NC6=C(N(N=C6)C)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)NC6=C(N(N=C6)C)C

InChI

InChI=1S/C25H31N9O4/c1-4-32-22(24(36)28-18-11-26-31(3)14(18)2)19(12-27-32)29-23(35)21-20(34(37)38)13-33(30-21)25-8-15-5-16(9-25)7-17(6-15)10-25/h11-13,15-17H,4-10H2,1-3H3,(H,28,36)(H,29,35)