5-(1-adamantyl)-N'-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide

Systemtic Name: 5-(1-adamantyl)-N'-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Openeye Name: 5-(1-adamantyl)-N'-[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide CAS Name: 5-(1-adamantyl)-N'-[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazole-3-carbohydrazide IUPAC Name: 5-(1-adamantyl)-N'-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Traditional Name: 5-(1-adamantyl)-N'-[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)/C=CC1=O

InChI

InChI=1S/C22H26N4O3/c1-29-19-7-13(2-3-18(19)27)12-23-26-21(28)17-8-20(25-24-17)22-9-14-4-15(10-22)6-16(5-14)11-22/h2-3,7-8,12,14-16,23H,4-6,9-11H2,1H3,(H,24,25)(H,26,28)/b13-12+