2-(3,4-diethoxyphenyl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-diethoxyphenyl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3,4-diethoxyphenyl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(3,4-diethoxyphenyl)-1-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-diethoxyphenyl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(3,4-diethoxyphenyl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]ethanone Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=CN(N=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)CC3=CN(N=C3)C)OCC

InChI

InChI=1S/C21H30N4O3/c1-4-27-19-7-6-17(12-20(19)28-5-2)13-21(26)25-10-8-24(9-11-25)16-18-14-22-23(3)15-18/h6-7,12,14-15H,4-5,8-11,13,16H2,1-3H3