1-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]-N-phenyl-nipecotamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O4/c28-20(24-17-6-2-1-3-7-17)16-5-4-10-25(12-16)21(29)15-8-9-18(19(11-15)27(30)31)26-14-22-13-23-26/h1-3,6-9,11,13-14,16H,4-5,10,12H2,(H,24,28)