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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-tetrahydropyran-2-yl-methanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-1-(2-oxanyl)methanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(tetrahydropyran-2-ylmethyl)amine Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCO1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1CCCCO1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N3O3/c1-26(16-21-9-5-6-12-28-21)14-19-15-27(20-7-3-2-4-8-20)25-24(19)18-10-11-22-23(13-18)30-17-29-22/h2-4,7-8,10-11,13,15,21H,5-6,9,12,14,16-17H2,1H3