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

Systemtic Name: N-cyclopentyl-5-morpholin-4-yl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-cyclopentyl-5-morpholino-4-nitro-N-(4-pyridylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: N-cyclopentyl-5-(4-morpholinyl)-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-cyclopentyl-5-morpholin-4-yl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: cyclopentyl-(6-morpholino-7-nitro-benzofurazan-4-yl)-(4-pyridylmethyl)amine Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=NC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1CCC(C1)N(CC2=CC=NC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C21H24N6O4/c28-27(29)21-18(25-9-11-30-12-10-25)13-17(19-20(21)24-31-23-19)26(16-3-1-2-4-16)14-15-5-7-22-8-6-15/h5-8,13,16H,1-4,9-12,14H2