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

Systemtic Name: N-heptan-2-yl-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-(1-methylhexyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-heptan-2-yl-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-heptan-2-yl-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-N-(1-methylhexyl)-3-nitro-benzamide Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C27H34N4O5/c1-3-4-5-8-19(2)28-26(32)20-11-12-24(25(17-20)31(34)35)29-15-13-22(14-16-29)30-23-10-7-6-9-21(23)18-36-27(30)33/h6-7,9-12,17,19,22H,3-5,8,13-16,18H2,1-2H3,(H,28,32)