(E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[5-(3-chlorophenyl)-2-thienyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[5-(3-chlorophenyl)-2-thiophenyl]-1-[4-(2-pyrazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[5-(3-chlorophenyl)-2-thienyl]-1-(4-pyrazin-2-ylpiperazino)prop-2-en-1-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)C=CC3=CC=C(S3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)/C=C/C3=CC=C(S3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4OS/c22-17-3-1-2-16(14-17)19-6-4-18(28-19)5-7-21(27)26-12-10-25(11-13-26)20-15-23-8-9-24-20/h1-9,14-15H,10-13H2/b7-5+