N-butyl-5-(4-methylpiperidin-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-butyl-5-(4-methylpiperidin-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-N-butyl-5-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-butyl-5-(4-methyl-1-piperidinyl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-N-butyl-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-butyl-[6-(4-methylpiperidino)-7-nitro-benzofurazan-4-yl]amine Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C23H29N5O3/c1-3-4-12-27(16-18-8-6-5-7-9-18)19-15-20(26-13-10-17(2)11-14-26)23(28(29)30)22-21(19)24-31-25-22/h5-9,15,17H,3-4,10-14,16H2,1-2H3