1-(1-adamantyl)-N-[4-(diethylamino)phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[4-(diethylamino)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-(diethylamino)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-(diethylamino)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-(diethylamino)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-(diethylamino)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O3/c1-3-27(4-2)20-7-5-19(6-8-20)25-23(30)22-21(29(31)32)15-28(26-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,30)