N-cyclopentyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-cyclopentyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-cyclopentyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(4-pyridylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: N-cyclopentyl-5-(4-methyl-1-piperazinyl)-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-cyclopentyl-5-(4-methylpiperazin-1-yl)-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: cyclopentyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]-(4-pyridylmethyl)amine Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=NC=C4)C5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=NC=C4)C5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H27N7O3/c1-26-10-12-27(13-11-26)19-14-18(20-21(25-32-24-20)22(19)29(30)31)28(17-4-2-3-5-17)15-16-6-8-23-9-7-16/h6-9,14,17H,2-5,10-13,15H2,1H3