5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCCCCOC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCCCCOC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c26-22(23-10-4-5-11-27-17-6-2-1-3-7-17)18-15-24-25-21(18)16-8-9-19-20(14-16)29-13-12-28-19/h1-3,6-9,14-15H,4-5,10-13H2,(H,23,26)(H,24,25)