3-(2,4-dimethoxypyrimidin-5-yl)-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]prop-2-en-1-one

Systemtic Name: 3-(2,4-dimethoxypyrimidin-5-yl)-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]prop-2-en-1-one Openeye Name: 3-(2,4-dimethoxypyrimidin-5-yl)-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]prop-2-en-1-one CAS Name: 3-(2,4-dimethoxy-5-pyrimidinyl)-1-[8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decan-3-yl]-2-propen-1-one IUPAC Name: 3-(2,4-dimethoxypyrimidin-5-yl)-1-[8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decan-3-yl]prop-2-en-1-one Traditional Name: 3-(2,4-dimethoxypyrimidin-5-yl)-1-[8-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decan-3-yl]prop-2-en-1-one Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=CC(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=NC(=NC=C1C=CC(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N4O4/c1-33-24-21(18-27-25(28-24)34-2)9-11-23(32)30-17-14-26(19-30)12-15-29(16-13-26)22(31)10-8-20-6-4-3-5-7-20/h3-7,9,11,18H,12-17,19H2,1-2H3