(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-[4-(2-pyrazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-1-(4-pyrazin-2-ylpiperazino)prop-2-en-1-one Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)C3=NC=CN=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)C3=NC=CN=C3)OC

InChI

InChI=1S/C21H25ClN4O3/c1-3-12-29-21-17(22)13-16(14-18(21)28-2)4-5-20(27)26-10-8-25(9-11-26)19-15-23-6-7-24-19/h4-7,13-15H,3,8-12H2,1-2H3/b5-4+