2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H28ClN5O2 MolecularWeight: 429.94302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCC3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN5O2/c1-22(2,30-18-7-5-17(23)6-8-18)21(29)28-13-11-27(12-14-28)20-15-19(24-16-25-20)26-9-3-4-10-26/h5-8,15-16H,3-4,9-14H2,1-2H3