1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(5-nitrobenzothiophene-2-carbonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-nitro-1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(5-nitrobenzothiophene-2-carbonyl)-N-(3-pyridylmethyl)isonipecotamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c26-20(23-13-14-2-1-7-22-12-14)15-5-8-24(9-6-15)21(27)19-11-16-10-17(25(28)29)3-4-18(16)30-19/h1-4,7,10-12,15H,5-6,8-9,13H2,(H,23,26)