3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]isoquinoline

Systemtic Name: 3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]isoquinoline Openeye Name: 3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]isoquinoline CAS Name: 3-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]isoquinoline IUPAC Name: 3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]isoquinoline Traditional Name: 3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]isoquinoline Formula: C29H29F2N3 MolecularWeight: 457.557466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C29H29F2N3/c30-26-11-7-22(8-12-26)28(23-9-13-27(31)14-10-23)6-3-15-33-16-18-34(19-17-33)29-20-24-4-1-2-5-25(24)21-32-29/h1-2,4-5,7-14,20-21,28H,3,6,15-19H2