(E)-3-(4-propan-2-ylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-isopropylphenyl)-1-[4-(4-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-propan-2-ylphenyl)-1-(4-pyridin-4-yl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-p-cumenyl-1-[4-(4-pyridyl)piperazino]prop-2-en-1-one Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O/c1-17(2)19-6-3-18(4-7-19)5-8-21(25)24-15-13-23(14-16-24)20-9-11-22-12-10-20/h3-12,17H,13-16H2,1-2H3/b8-5+