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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]-piperazin-1-yl-methanone CAS Name: [4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-3-nitrophenyl]-piperazin-1-ylmethanone Traditional Name: [3-nitro-4-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]-piperazino-methanone Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O6/c30-23(28-10-6-25-7-11-28)17-2-4-19(20(14-17)29(32)33)26-8-1-9-27(13-12-26)24(31)18-3-5-21-22(15-18)35-16-34-21/h2-5,14-15,25H,1,6-13,16H2