N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1,4-dioxan-2-ylmethyl)amine Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)CNCC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(CO1)CNCC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N3O4/c1-2-14-15(23-10-22-14)5-11(1)16-12(7-18-19-16)6-17-8-13-9-20-3-4-21-13/h1-2,5,7,13,17H,3-4,6,8-10H2,(H,18,19)