N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C26H31BrN4O2 MolecularWeight: 511.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C(C)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN4O2/c1-3-4-5-6-7-8-17-33-23-15-11-21(12-16-23)24-18-25(30-29-24)26(32)31-28-19(2)20-9-13-22(27)14-10-20/h9-16,18H,3-8,17H2,1-2H3,(H,29,30)(H,31,32)/b28-19+