N-methyl-4-nitro-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-methyl-4-nitro-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[2-(4-benzyl-1-piperidyl)ethyl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-methyl-4-nitro-N-[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 2-(4-benzylpiperidino)ethyl-methyl-(7-nitrobenzofurazan-4-yl)amine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCC(CC1)CC2=CC=CC=C2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

CN(CCN1CCC(CC1)CC2=CC=CC=C2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-24(18-7-8-19(26(27)28)21-20(18)22-29-23-21)13-14-25-11-9-17(10-12-25)15-16-5-3-2-4-6-16/h2-8,17H,9-15H2,1H3