1-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(4-butan-2-ylphenyl)propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-4-17(3)21-6-8-22(9-7-21)23(5-2)28-26(32)25-24(31(33)34)16-30(29-25)27-13-18-10-19(14-27)12-20(11-18)15-27/h6-9,16-20,23H,4-5,10-15H2,1-3H3,(H,28,32)