3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CN(CCCCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H30N4O3/c1-29(25(30)26-17-21-18-31-23-13-7-8-14-24(23)32-21)15-9-3-6-12-20-16-22(28-27-20)19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14,16,21H,3,6,9,12,15,17-18H2,1H3,(H,26,30)(H,27,28)