N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl]-1-(furan-3-yl)methanamine

Systemtic Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl]-1-(furan-3-yl)methanamine Openeye Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl]-1-(3-furyl)methanamine CAS Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]methyl]-1-(3-furanyl)methanamine IUPAC Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-1-(furan-3-yl)methanamine Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methyl-(3-furfuryl)amine Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)CNCC4=COC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)CNCC4=COC=C4

InChI

InChI=1S/C19H21N3O3/c1-22-12-16(11-20-10-14-5-8-23-13-14)19(21-22)15-3-4-17-18(9-15)25-7-2-6-24-17/h3-5,8-9,12-13,20H,2,6-7,10-11H2,1H3