N'-[2-(1-adamantyl)ethanoyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide

Systemtic Name: N'-[2-(1-adamantyl)ethanoyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide Openeye Name: N'-[2-(1-adamantyl)acetyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide CAS Name: N'-[2-(1-adamantyl)-1-oxoethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarbohydrazide IUPAC Name: N'-[2-(1-adamantyl)acetyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbohydrazide Traditional Name: N'-[2-(1-adamantyl)acetyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbohydrazide Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NNC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NNC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H32N4O4/c1-30-15-20(24(29-30)19-3-4-21-22(10-19)34-6-2-5-33-21)25(32)28-27-23(31)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h3-4,10,15-18H,2,5-9,11-14H2,1H3,(H,27,31)(H,28,32)