2-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-but-3-yn-1-one

Systemtic Name: 2-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-but-3-yn-1-one Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-methylpiperazin-1-yl)-4-phenyl-but-3-yn-1-one CAS Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methyl-1-piperazinyl)-4-phenyl-3-butyn-1-one IUPAC Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-yn-1-one Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-methylpiperazino)-4-phenyl-but-3-yn-1-one Formula: C27H32N2O3 MolecularWeight: 432.55458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C#CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CN1CCN(CC1)C(=O)C(C#CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C27H32N2O3/c1-28-16-18-29(19-17-28)27(30)24(14-12-21-8-4-3-5-9-21)22-13-15-25(31-2)26(20-22)32-23-10-6-7-11-23/h3-5,8-9,13,15,20,23-24H,6-7,10-11,16-19H2,1-2H3