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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCC(=O)N1CCN(CC1)C2=NC=CC=N2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H29N5O3/c1-24(16-17-5-6-18(28-2)19(15-17)29-3)10-7-20(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