1-(2-nitrophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-nitrophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]piperidine-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c28-20-14-26(12-9-22-20)19-6-5-16(13-23-19)24-21(29)15-7-10-25(11-8-15)17-3-1-2-4-18(17)27(30)31/h1-6,13,15H,7-12,14H2,(H,22,28)(H,24,29)