(E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C23H29N5O3 MolecularWeight: 423.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)OC

InChI

InChI=1S/C23H29N5O3/c1-30-19-7-5-18(15-20(19)31-2)6-8-23(29)28-13-11-27(12-14-28)22-16-21(24-17-25-22)26-9-3-4-10-26/h5-8,15-17H,3-4,9-14H2,1-2H3/b8-6+