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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(5-methyl-2-furyl)methanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-1-(5-methyl-2-furanyl)methanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(5-methyl-2-furyl)methyl]amine Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)CNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O3/c1-16-7-9-20(29-16)13-24-12-18-14-26(19-5-3-2-4-6-19)25-23(18)17-8-10-21-22(11-17)28-15-27-21/h2-11,14,24H,12-13,15H2,1H3