1-(2-methoxy-5-nitro-phenyl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(2-methoxy-5-nitro-benzoyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(2-methoxy-5-nitrophenyl)-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methoxy-5-nitrobenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(2-methoxy-5-nitro-benzoyl)-N-(3-pyridylmethyl)isonipecotamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H22N4O5/c1-29-18-5-4-16(24(27)28)11-17(18)20(26)23-9-6-15(7-10-23)19(25)22-13-14-3-2-8-21-12-14/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,22,25)