3-[1-methyl-5-(3-methylphenoxy)-3-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-methyl-5-(3-methylphenoxy)-3-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-methyl-5-(3-methylphenoxy)-3-phenyl-pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-methyl-5-(3-methylphenoxy)-3-phenyl-4-pyrazolyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-methyl-5-(3-methylphenoxy)-3-phenyl-pyrazol-4-yl]-1-(4-methylpiperazino)propan-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H30N4O2/c1-19-8-7-11-21(18-19)31-25-22(12-13-23(30)29-16-14-27(2)15-17-29)24(26-28(25)3)20-9-5-4-6-10-20/h4-11,18H,12-17H2,1-3H3