5-(1-adamantyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)/C5=CC=CC=C5

InChI

InChI=1S/C22H26N4O/c1-14(18-5-3-2-4-6-18)23-26-21(27)19-10-20(25-24-19)22-11-15-7-16(12-22)9-17(8-15)13-22/h2-6,10,15-17H,7-9,11-13H2,1H3,(H,24,25)(H,26,27)/b23-14+