4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-1-phenyl-pyrazole-3,5-diamine

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-1-phenyl-pyrazole-3,5-diamine Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-1-phenyl-pyrazole-3,5-diamine CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]methyl]-1-phenylpyrazole-3,5-diamine IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]-1-phenylpyrazole-3,5-diamine Traditional Name: [5-amino-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]methyl]-1-phenyl-pyrazol-3-yl]amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(N(N=C2N)C3=CC=CC=C3)N)C4=C5C(=CC=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=C(N(N=C2N)C3=CC=CC=C3)N)C4=C5C(=CC=C4)OCCO5

InChI

InChI=1S/C22H26N6O2/c23-21-17(22(24)28(25-21)16-5-2-1-3-6-16)15-26-9-11-27(12-10-26)18-7-4-8-19-20(18)30-14-13-29-19/h1-8H,9-15,24H2,(H2,23,25)