5-tert-butyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-pyrazol-3-amine

Systemtic Name: 5-tert-butyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-pyrazol-3-amine Openeye Name: 5-tert-butyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenyl-pyrazol-3-amine CAS Name: 5-tert-butyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]methyl]-2-phenyl-3-pyrazolamine IUPAC Name: 5-tert-butyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-2-phenylpyrazol-3-amine Traditional Name: [5-tert-butyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]methyl]-2-phenyl-pyrazol-3-yl]amine Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1CN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)N)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1CN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)N)C5=CC=CC=C5

InChI

InChI=1S/C26H33N5O2/c1-26(2,3)24-20(25(27)31(28-24)19-8-5-4-6-9-19)18-29-12-14-30(15-13-29)21-10-7-11-22-23(21)33-17-16-32-22/h4-11H,12-18,27H2,1-3H3