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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [3-nitro-4-(4-piperonylpiperazino)phenyl]-phenyl-methanone Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5/c29-25(19-4-2-1-3-5-19)20-7-8-21(22(15-20)28(30)31)27-12-10-26(11-13-27)16-18-6-9-23-24(14-18)33-17-32-23/h1-9,14-15H,10-13,16-17H2