2-[2-[(3S)-3-methylpiperidin-1-yl]quinolin-8-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]quinolin-8-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[2-[(3S)-3-methyl-1-piperidyl]-8-quinolyl]oxy]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidinyl]-8-quinolinyl]oxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]quinolin-8-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[2-[(3S)-3-methylpiperidino]-8-quinolyl]oxy]-1-(4-phenylpiperazino)ethanone Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(C=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5)C=C2

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=C(C=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5)C=C2

InChI

InChI=1S/C27H32N4O2/c1-21-7-6-14-31(19-21)25-13-12-22-8-5-11-24(27(22)28-25)33-20-26(32)30-17-15-29(16-18-30)23-9-3-2-4-10-23/h2-5,8-13,21H,6-7,14-20H2,1H3/t21-/m0/s1