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

Systemtic Name: (E)-3-[5-(2-nitrophenyl)thiophen-2-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[5-(2-nitrophenyl)-2-thienyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[5-(2-nitrophenyl)-2-thiophenyl]-1-[4-(2-pyrazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[5-(2-nitrophenyl)thiophen-2-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[5-(2-nitrophenyl)-2-thienyl]-1-(4-pyrazin-2-ylpiperazino)prop-2-en-1-one Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)C=CC3=CC=C(S3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)/C=C/C3=CC=C(S3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c27-21(25-13-11-24(12-14-25)20-15-22-9-10-23-20)8-6-16-5-7-19(30-16)17-3-1-2-4-18(17)26(28)29/h1-10,15H,11-14H2/b8-6+