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

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dimethylphenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

InChI

InChI=1S/C22H29N5O2/c1-17-6-5-7-19(18(17)2)29-15-22(28)27-12-10-26(11-13-27)21-14-20(23-16-24-21)25-8-3-4-9-25/h5-7,14,16H,3-4,8-13,15H2,1-2H3