3-(4-butoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-butoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-butoxyphenyl)-N-[(E)-2-pyridylmethyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-butoxyphenyl)-N-[(E)-2-pyridinylmethylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-butoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-butoxyphenyl)-N-[(E)-2-pyridylmethyleneamino]-1H-pyrazole-5-carboxamide Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=N3

InChI

InChI=1S/C20H21N5O2/c1-2-3-12-27-17-9-7-15(8-10-17)18-13-19(24-23-18)20(26)25-22-14-16-6-4-5-11-21-16/h4-11,13-14H,2-3,12H2,1H3,(H,23,24)(H,25,26)/b22-14+