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

Systemtic Name: (E)-3-(2-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-chlorophenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-chlorophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-chlorophenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C21H24ClN5O MolecularWeight: 397.90116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C21H24ClN5O/c22-18-6-2-1-5-17(18)7-8-21(28)27-13-11-26(12-14-27)20-15-19(23-16-24-20)25-9-3-4-10-25/h1-2,5-8,15-16H,3-4,9-14H2/b8-7+