(E)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-pyridylmethyl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-pyridylmethyl)piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C17H19N3OS MolecularWeight: 313.41726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H19N3OS/c21-17(4-3-16-2-1-13-22-16)20-11-9-19(10-12-20)14-15-5-7-18-8-6-15/h1-8,13H,9-12,14H2/b4-3+