N-(4-butan-2-ylphenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methanimine

Systemtic Name: N-(4-butan-2-ylphenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methanimine Openeye Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(4-sec-butylphenyl)methanimine CAS Name: N-(4-butan-2-ylphenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methanimine IUPAC Name: N-(4-butan-2-ylphenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methanimine Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene-(4-sec-butylphenyl)amine Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-3-20(2)21-9-12-24(13-10-21)29-18-23-19-31(25-7-5-4-6-8-25)30-28(23)22-11-14-26-27(17-22)33-16-15-32-26/h4-14,17-20H,3,15-16H2,1-2H3