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

Systemtic Name: N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-butyl-5-(4-methyl-1-piperazinyl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-N-butyl-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-butyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C22H28N6O3/c1-3-4-10-27(16-17-8-6-5-7-9-17)18-15-19(26-13-11-25(2)12-14-26)22(28(29)30)21-20(18)23-31-24-21/h5-9,15H,3-4,10-14,16H2,1-2H3