N7-cyclopentyl-4-nitro-N5-(phenylmethyl)-N7-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-cyclopentyl-4-nitro-N5-(phenylmethyl)-N7-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-cyclopentyl-4-nitro-N7-(4-pyridylmethyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-cyclopentyl-4-nitro-N5-(phenylmethyl)-N7-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-cyclopentyl-4-nitro-7-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [6-(benzylamino)-7-nitro-benzofurazan-4-yl]-cyclopentyl-(4-pyridylmethyl)amine Formula: C24H24N6O3 MolecularWeight: 444.48576

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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-])NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N(CC2=CC=NC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C24H24N6O3/c31-30(32)24-20(26-15-17-6-2-1-3-7-17)14-21(22-23(24)28-33-27-22)29(19-8-4-5-9-19)16-18-10-12-25-13-11-18/h1-3,6-7,10-14,19,26H,4-5,8-9,15-16H2