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

Systemtic Name: 2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-methoxyphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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