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

Systemtic Name: 2-(3,4-dimethylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-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=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)C

Isomeric SMILES

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

InChI

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