methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazol-3-yl]carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazol-3-yl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazole-3-carbonyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[[5-(1-adamantyl)-1H-pyrazol-3-yl]-oxomethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[5-(1-adamantyl)-1H-pyrazole-3-carbonyl]hydrazono]methyl]benzoic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N4O3/c1-30-22(29)18-4-2-14(3-5-18)13-24-27-21(28)19-9-20(26-25-19)23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,9,13,15-17H,6-8,10-12H2,1H3,(H,25,26)(H,27,28)/b24-13+