2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazin-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[[5-(2-nitrophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazino]-N-propargyl-acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1CCN(CC1)CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CN1CCN(CC1)CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-2-9-21-20(25)15-23-12-10-22(11-13-23)14-16-7-8-19(28-16)17-5-3-4-6-18(17)24(26)27/h1,3-8H,9-15H2,(H,21,25)