[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-(4-piperonylpiperazino)methanone Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c28-22(17-2-3-18(19(12-17)27(29)30)26-6-5-23-14-26)25-9-7-24(8-10-25)13-16-1-4-20-21(11-16)32-15-31-20/h1-6,11-12,14H,7-10,13,15H2