2-[[4-nitro-7-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[4-nitro-7-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-(4-benzyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[4-nitro-7-[4-(phenylmethyl)-1-piperidinyl]-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-(4-benzylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-(4-benzylpiperidino)-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

InChI

InChI=1S/C20H23N5O4/c26-11-8-21-16-13-17(18-19(23-29-22-18)20(16)25(27)28)24-9-6-15(7-10-24)12-14-4-2-1-3-5-14/h1-5,13,15,21,26H,6-12H2