N-(3-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(3-nitrophenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(3-nitrophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-nitrophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(3-nitrophenyl)-2-[4-(3-thenyl)piperazino]propionamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22N4O3S/c1-14(18(23)19-16-3-2-4-17(11-16)22(24)25)21-8-6-20(7-9-21)12-15-5-10-26-13-15/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,19,23)