1-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperidine-3-carboxamide

Systemtic Name: 1-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperidine-3-carboxamide Openeye Name: 1-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]piperidine-3-carboxamide CAS Name: 1-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: 1-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]piperidine-3-carboxamide Traditional Name: 1-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]nipecotamide Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C26H29N5O6/c27-24(32)18-5-3-11-29(15-18)25(33)17-7-8-22(23(14-17)31(35)36)28-12-9-20(10-13-28)30-21-6-2-1-4-19(21)16-37-26(30)34/h1-2,4,6-8,14,18,20H,3,5,9-13,15-16H2,(H2,27,32)