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

Systemtic Name: 3-(4-octoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-octoxyphenyl)-N-[(E)-2-pyridylmethyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-octoxyphenyl)-N-[(E)-2-pyridinylmethylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-octoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-octoxyphenyl)-N-[(E)-2-pyridylmethyleneamino]-1H-pyrazole-5-carboxamide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CC=N3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=N3

InChI

InChI=1S/C24H29N5O2/c1-2-3-4-5-6-9-16-31-21-13-11-19(12-14-21)22-17-23(28-27-22)24(30)29-26-18-20-10-7-8-15-25-20/h7-8,10-15,17-18H,2-6,9,16H2,1H3,(H,27,28)(H,29,30)/b26-18+