7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole

Systemtic Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Openeye Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole CAS Name: 7-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazole IUPAC Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Traditional Name: 7-[4-(2,3-dimethylphenyl)piperazino]-4-nitro-5-pyrrolidino-benzofurazan Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5)C

InChI

InChI=1S/C22H26N6O3/c1-15-6-5-7-17(16(15)2)26-10-12-27(13-11-26)18-14-19(25-8-3-4-9-25)22(28(29)30)21-20(18)23-31-24-21/h5-7,14H,3-4,8-13H2,1-2H3