1-[4-[2-(2-oxidanylpropoxy)quinolin-3-yl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[2-(2-oxidanylpropoxy)quinolin-3-yl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[2-(2-hydroxypropoxy)-3-quinolyl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[2-(2-hydroxypropoxy)-3-quinolinyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[2-(2-hydroxypropoxy)quinolin-3-yl]piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[2-(2-hydroxypropoxy)-3-quinolyl]piperazino]-2,2-diphenyl-ethanone Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=NC2=CC=CC=C2C=C1N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(COC1=NC2=CC=CC=C2C=C1N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H31N3O3/c1-22(34)21-36-29-27(20-25-14-8-9-15-26(25)31-29)32-16-18-33(19-17-32)30(35)28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,22,28,34H,16-19,21H2,1H3