N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Traditional Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide Formula: C20H28N6O3S MolecularWeight: 432.53972

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C20H28N6O3S/c1-3-23(4-2)18(16-7-12-30-15-16)14-22-20(27)25-10-8-24(9-11-25)17-5-6-19(21-13-17)26(28)29/h5-7,12-13,15,18H,3-4,8-11,14H2,1-2H3,(H,22,27)