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

Systemtic Name: N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(2-ethoxyphenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(2-ethoxybenzylidene)amino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CC=C3OCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3OCC

InChI

InChI=1S/C27H34N4O3/c1-3-5-6-7-8-11-18-34-23-16-14-21(15-17-23)24-19-25(30-29-24)27(32)31-28-20-22-12-9-10-13-26(22)33-4-2/h9-10,12-17,19-20H,3-8,11,18H2,1-2H3,(H,29,30)(H,31,32)/b28-20+