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

Systemtic Name: N-(2-cyanoethyl)-2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[[5-(2-nitrophenyl)-2-thiophenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazino]acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-])CC(=O)NCCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-])CC(=O)NCCC#N

InChI

InChI=1S/C20H23N5O3S/c21-8-3-9-22-20(26)15-24-12-10-23(11-13-24)14-16-6-7-19(29-16)17-4-1-2-5-18(17)25(27)28/h1-2,4-7H,3,9-15H2,(H,22,26)