5-tert-butyl-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[(3-phenoxyphenyl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-tert-butyl-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[(3-phenoxybenzylidene)amino]-1H-pyrazole-3-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-21(2,3)19-13-18(23-24-19)20(26)25-22-14-15-8-7-11-17(12-15)27-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,23,24)(H,25,26)