3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenethyl-benzamide

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenethyl-benzamide Openeye Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]-N-phenethyl-benzamide CAS Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-N-phenethylbenzamide IUPAC Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenethylbenzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-N-phenethyl-benzamide Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O5/c33-27(29-15-12-20-6-2-1-3-7-20)21-10-11-25(26(18-21)32(35)36)30-16-13-23(14-17-30)31-24-9-5-4-8-22(24)19-37-28(31)34/h1-11,18,23H,12-17,19H2,(H,29,33)