2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[homoveratryl(methyl)amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O3/c1-24(10-7-17-5-6-18(28-2)19(15-17)29-3)16-20(27)25-11-13-26(14-12-25)21-22-8-4-9-23-21/h4-6,8-9,15H,7,10-14,16H2,1-3H3