3-(4-octoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-octoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-octoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-octoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-octoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-octoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c1-2-3-4-5-6-10-20-33-24-17-15-23(16-18-24)25-21-26(30-29-25)27(32)31-28-19-11-14-22-12-8-7-9-13-22/h7-9,11-19,21H,2-6,10,20H2,1H3,(H,29,30)(H,31,32)/b14-11+,28-19+