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

Systemtic Name: 2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-phenoxy-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-phenoxy-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-17(28-18-7-3-2-4-8-18)21(27)26-13-11-25(12-14-26)20-15-19(22-16-23-20)24-9-5-6-10-24/h2-4,7-8,15-17H,5-6,9-14H2,1H3