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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-yl-ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-yl-ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-1-(4-pyrimidinyl)ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[1-(4-pyrimidyl)ethyl]amine Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)N(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=NC=NC=C1)N(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O2/c1-17(21-10-11-25-15-26-21)28(2)13-19-14-29(20-6-4-3-5-7-20)27-24(19)18-8-9-22-23(12-18)31-16-30-22/h3-12,14-15,17H,13,16H2,1-2H3