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

Systemtic Name: (E)-3-(2-chlorophenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-chlorophenyl)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-chlorophenyl)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-chlorophenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-chlorophenyl)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C22H26ClN5O MolecularWeight: 411.92774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C22H26ClN5O/c23-19-7-3-2-6-18(19)8-9-22(29)28-14-12-27(13-15-28)21-16-20(24-17-25-21)26-10-4-1-5-11-26/h2-3,6-9,16-17H,1,4-5,10-15H2/b9-8+