1-[4-[4-[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[2-(3-isopropoxyphenyl)quinoline-4-carbonyl]piperazino]phenyl]ethanone Formula: C31H31N3O3 MolecularWeight: 493.59614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C31H31N3O3/c1-21(2)37-26-8-6-7-24(19-26)30-20-28(27-9-4-5-10-29(27)32-30)31(36)34-17-15-33(16-18-34)25-13-11-23(12-14-25)22(3)35/h4-14,19-21H,15-18H2,1-3H3