1-[4-[phenyl(thiophen-2-yl)methyl]piperazin-1-yl]-3-quinolin-5-yloxy-propan-2-ol

Systemtic Name: 1-[4-[phenyl(thiophen-2-yl)methyl]piperazin-1-yl]-3-quinolin-5-yloxy-propan-2-ol Openeye Name: 1-[4-[phenyl(2-thienyl)methyl]piperazin-1-yl]-3-(5-quinolyloxy)propan-2-ol CAS Name: 1-[4-[phenyl(thiophen-2-yl)methyl]-1-piperazinyl]-3-(5-quinolinyloxy)-2-propanol IUPAC Name: 1-[4-[phenyl(thiophen-2-yl)methyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol Traditional Name: 1-[4-[phenyl(2-thienyl)methyl]piperazino]-3-(5-quinolyloxy)propan-2-ol Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H29N3O2S/c31-22(20-32-25-11-4-10-24-23(25)9-5-13-28-24)19-29-14-16-30(17-15-29)27(26-12-6-18-33-26)21-7-2-1-3-8-21/h1-13,18,22,27,31H,14-17,19-20H2