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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-2-[(2R)-tetrahydropyran-2-yl]ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-2-[(2R)-2-oxanyl]ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-[(2R)-tetrahydropyran-2-yl]ethyl]amine Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCCCO1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CN(CC[C@H]1CCCCO1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N3O3/c1-27(13-12-22-9-5-6-14-29-22)16-20-17-28(21-7-3-2-4-8-21)26-25(20)19-10-11-23-24(15-19)31-18-30-23/h2-4,7-8,10-11,15,17,22H,5-6,9,12-14,16,18H2,1H3/t22-/m1/s1