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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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