7-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-phenyl-hept-2-yn-4-ol

Systemtic Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-phenyl-hept-2-yn-4-ol Openeye Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-phenyl-hept-2-yn-4-ol CAS Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-5-phenyl-2-heptyn-4-ol IUPAC Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-phenylhept-2-yn-4-ol Traditional Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-5-phenyl-hept-2-yn-4-ol Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C(CCN1CCN(CC1)C2=C3C(=CC=C2)OCCO3)C4=CC=CC=C4)O

Isomeric SMILES

CC#CC(C(CCN1CCN(CC1)C2=C3C(=CC=C2)OCCO3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H30N2O3/c1-2-7-23(28)21(20-8-4-3-5-9-20)12-13-26-14-16-27(17-15-26)22-10-6-11-24-25(22)30-19-18-29-24/h3-6,8-11,21,23,28H,12-19H2,1H3