2-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

InChI

InChI=1S/C22H29N5O3/c1-29-18-6-5-17(13-19(18)30-2)14-22(28)27-11-9-26(10-12-27)21-15-20(23-16-24-21)25-7-3-4-8-25/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3