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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: (3-nitro-4-piperidino-phenyl)-(4-piperonylpiperazino)methanone Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O5/c29-24(19-5-6-20(21(15-19)28(30)31)26-8-2-1-3-9-26)27-12-10-25(11-13-27)16-18-4-7-22-23(14-18)33-17-32-22/h4-7,14-15H,1-3,8-13,16-17H2