4-[1,3-benzodioxol-5-yl(piperidin-1-yl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-[1,3-benzodioxol-5-yl(piperidin-1-yl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-[1,3-benzodioxol-5-yl(1-piperidyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-[1,3-benzodioxol-5-yl(1-piperidinyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-[1,3-benzodioxol-5-yl(piperidin-1-yl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-[1,3-benzodioxol-5-yl(piperidino)methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC3=C(C=C2)OCO3)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC3=C(C=C2)OCO3)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N3O3/c1-16-21(23(27)26(24-16)18-8-4-2-5-9-18)22(25-12-6-3-7-13-25)17-10-11-19-20(14-17)29-15-28-19/h2,4-5,8-11,14,21-22H,3,6-7,12-13,15H2,1H3