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

Systemtic Name: N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine Openeye Name: N-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine CAS Name: N-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine IUPAC Name: N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine Traditional Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]amine Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)CNCC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CO[C@H](CO1)CNCC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C17H19N3O3/c1-2-4-15-12(3-1)7-16(23-15)17-13(9-19-20-17)8-18-10-14-11-21-5-6-22-14/h1-4,7,9,14,18H,5-6,8,10-11H2,(H,19,20)/t14-/m0/s1