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

Systemtic Name: 4-[1,3-benzodioxol-5-yl-(4-methylpiperazin-1-yl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-[1,3-benzodioxol-5-yl-(4-methylpiperazin-1-yl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-[1,3-benzodioxol-5-yl-(4-methyl-1-piperazinyl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-[1,3-benzodioxol-5-yl-(4-methylpiperazin-1-yl)methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-[1,3-benzodioxol-5-yl-(4-methylpiperazino)methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4O3/c1-16-21(23(28)27(24-16)18-6-4-3-5-7-18)22(26-12-10-25(2)11-13-26)17-8-9-19-20(14-17)30-15-29-19/h3-9,14,21-22H,10-13,15H2,1-2H3