3-(4-butylphenyl)-5-[(E)-2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole

Systemtic Name: 3-(4-butylphenyl)-5-[(E)-2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole Openeye Name: 3-(4-butylphenyl)-5-[(E)-2-(4-butylphenyl)vinyl]-2-phenyl-3,4-dihydropyrazole CAS Name: 3-(4-butylphenyl)-5-[(E)-2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole IUPAC Name: 3-(4-butylphenyl)-5-[(E)-2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole Traditional Name: 5-(4-butylphenyl)-3-[(E)-2-(4-butylphenyl)vinyl]-1-phenyl-2-pyrazoline Formula: C31H36N2 MolecularWeight: 436.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C=CC2=NN(C(C2)C3=CC=C(C=C3)CCCC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C=C/C2=NN(C(C2)C3=CC=C(C=C3)CCCC)C4=CC=CC=C4

InChI

InChI=1S/C31H36N2/c1-3-5-10-25-14-16-27(17-15-25)20-23-29-24-31(33(32-29)30-12-8-7-9-13-30)28-21-18-26(19-22-28)11-6-4-2/h7-9,12-23,31H,3-6,10-11,24H2,1-2H3/b23-20+