N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(2-nitrophenyl)isonipecotamide Formula: C20H19ClN6O3 MolecularWeight: 426.85626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O3/c21-15-5-6-17(26-13-22-12-23-26)16(11-15)24-20(28)14-7-9-25(10-8-14)18-3-1-2-4-19(18)27(29)30/h1-6,11-14H,7-10H2,(H,24,28)