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

Systemtic Name: N-(2-cyanoethyl)-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-2-(phenylmethyl)benzamide Openeye Name: 2-benzyl-N-(2-cyanoethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-(2-cyanoethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-2-(phenylmethyl)benzamide IUPAC Name: 2-benzyl-N-(2-cyanoethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: 2-benzyl-N-(2-cyanoethyl)-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzamide Formula: C30H29N5O5 MolecularWeight: 539.58176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C(=C(C=C4)C(=O)NCCC#N)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C(=C(C=C4)C(=O)NCCC#N)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H29N5O5/c31-15-6-16-32-29(36)24-11-12-27(28(35(38)39)25(24)19-21-7-2-1-3-8-21)33-17-13-23(14-18-33)34-26-10-5-4-9-22(26)20-40-30(34)37/h1-5,7-12,23H,6,13-14,16-20H2,(H,32,36)