2-(3-nitropiperazin-1-yl)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]butan-1-one

Systemtic Name: 2-(3-nitropiperazin-1-yl)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]butan-1-one Openeye Name: 2-(3-nitropiperazin-1-yl)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]butan-1-one CAS Name: 2-(3-nitro-1-piperazinyl)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]-1-butanone IUPAC Name: 2-(3-nitropiperazin-1-yl)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]butan-1-one Traditional Name: 2-(3-nitropiperazino)-1-[2-(3,4,5-trimethoxyphenyl)phenyl]butan-1-one Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1C2=CC(=C(C(=C2)OC)OC)OC)N3CCNC(C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1C2=CC(=C(C(=C2)OC)OC)OC)N3CCNC(C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O6/c1-5-18(25-11-10-24-21(14-25)26(28)29)22(27)17-9-7-6-8-16(17)15-12-19(30-2)23(32-4)20(13-15)31-3/h6-9,12-13,18,21,24H,5,10-11,14H2,1-4H3