1-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-4-nitro-pyrazole-3-carboxamide Formula: C31H36N4O6 MolecularWeight: 560.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)OCC

InChI

InChI=1S/C31H36N4O6/c1-3-39-27-10-5-20(14-28(27)40-4-2)19-41-25-8-6-24(7-9-25)32-30(36)29-26(35(37)38)18-34(33-29)31-15-21-11-22(16-31)13-23(12-21)17-31/h5-10,14,18,21-23H,3-4,11-13,15-17,19H2,1-2H3,(H,32,36)