5-[2-[4-[4,4-bis(4-methoxyphenyl)butyl]piperazin-1-yl]ethoxy]isoquinoline

Systemtic Name: 5-[2-[4-[4,4-bis(4-methoxyphenyl)butyl]piperazin-1-yl]ethoxy]isoquinoline Openeye Name: 5-[2-[4-[4,4-bis(4-methoxyphenyl)butyl]piperazin-1-yl]ethoxy]isoquinoline CAS Name: 5-[2-[4-[4,4-bis(4-methoxyphenyl)butyl]-1-piperazinyl]ethoxy]isoquinoline IUPAC Name: 5-[2-[4-[4,4-bis(4-methoxyphenyl)butyl]piperazin-1-yl]ethoxy]isoquinoline Traditional Name: 5-[2-[4-[4,4-bis(4-methoxyphenyl)butyl]piperazino]ethoxy]isoquinoline Formula: C33H39N3O3 MolecularWeight: 525.68106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCCN2CCN(CC2)CCOC3=CC=CC4=C3C=CN=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CCCN2CCN(CC2)CCOC3=CC=CC4=C3C=CN=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H39N3O3/c1-37-29-12-8-26(9-13-29)31(27-10-14-30(38-2)15-11-27)6-4-18-35-19-21-36(22-20-35)23-24-39-33-7-3-5-28-25-34-17-16-32(28)33/h3,5,7-17,25,31H,4,6,18-24H2,1-2H3