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

Systemtic Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-tert-butyl-4-methylphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C26H37N5O2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O2/c1-19-8-9-22(21(16-19)26(3,4)5)33-20(2)25(32)31-14-12-30(13-15-31)24-17-23(27-18-28-24)29-10-6-7-11-29/h8-9,16-18,20H,6-7,10-15H2,1-5H3