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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-thiophen-2-yl-ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(2-thienyl)ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-1-thiophen-2-ylethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[1-(2-thienyl)ethyl]amine Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CS1)NCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O2S/c1-16(22-8-5-11-29-22)24-13-18-14-26(19-6-3-2-4-7-19)25-23(18)17-9-10-20-21(12-17)28-15-27-20/h2-12,14,16,24H,13,15H2,1H3