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

Systemtic Name: 2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-prop-2-ynyl-propanamide Openeye Name: 2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazin-1-yl]-N-prop-2-ynyl-propanamide CAS Name: 2-[4-[[5-(2-nitrophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-N-prop-2-ynylpropanamide IUPAC Name: 2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-prop-2-ynylpropanamide Traditional Name: 2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazino]-N-propargyl-propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1CCN(CC1)CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC#C)N1CCN(CC1)CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-3-10-22-21(26)16(2)24-13-11-23(12-14-24)15-17-8-9-20(29-17)18-6-4-5-7-19(18)25(27)28/h1,4-9,16H,10-15H2,2H3,(H,22,26)