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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(dimethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(dimethylamino)-3-nitrophenyl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-(4-piperonylpiperazino)methanone Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-22(2)17-5-4-16(12-18(17)25(27)28)21(26)24-9-7-23(8-10-24)13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3