13-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)tridecan-1-one

Systemtic Name: 13-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)tridecan-1-one Openeye Name: 13-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)tridecan-1-one CAS Name: 13-(1,3-benzodioxol-5-yl)-1-(4-methyl-1-piperazinyl)-1-tridecanone IUPAC Name: 13-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)tridecan-1-one Traditional Name: 13-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazino)tridecan-1-one Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCCCCCCCCCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCCCCCCCCCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H40N2O3/c1-26-16-18-27(19-17-26)25(28)13-11-9-7-5-3-2-4-6-8-10-12-22-14-15-23-24(20-22)30-21-29-23/h14-15,20H,2-13,16-19,21H2,1H3