N-(3-ethylpent-1-yn-3-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-3-nitro-4-piperidino-benzamide Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O3/c1-4-19(5-2,6-3)20-18(23)15-10-11-16(17(14-15)22(24)25)21-12-8-7-9-13-21/h1,10-11,14H,5-9,12-13H2,2-3H3,(H,20,23)