5-(1-adamantyl)-N-[(E)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(E)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(E)-(3-hydroxy-4-methoxy-benzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C22H26N4O3/c1-29-19-3-2-13(7-18(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/h2-3,7-8,12,14-16,27H,4-6,9-11H2,1H3,(H,24,25)(H,26,28)/b23-12+