N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-(4,6-dimethylpyrimidin-2-yl)ethanamine

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-(4,6-dimethylpyrimidin-2-yl)ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-(4,6-dimethylpyrimidin-2-yl)ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-2-(4,6-dimethyl-2-pyrimidinyl)ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-2-(4,6-dimethylpyrimidin-2-yl)ethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]amine Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CCNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)CCNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H25N5O2/c1-17-12-18(2)28-24(27-17)10-11-26-14-20-15-30(21-6-4-3-5-7-21)29-25(20)19-8-9-22-23(13-19)32-16-31-22/h3-9,12-13,15,26H,10-11,14,16H2,1-2H3