3-[4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperazin-1-yl]-1-phenyl-isoquinoline-4-carbaldehyde

Systemtic Name: 3-[4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperazin-1-yl]-1-phenyl-isoquinoline-4-carbaldehyde Openeye Name: 3-[4-[4-(4-fluorophenyl)-4-oxo-butyl]piperazin-1-yl]-1-phenyl-isoquinoline-4-carbaldehyde CAS Name: 3-[4-[4-(4-fluorophenyl)-4-oxobutyl]-1-piperazinyl]-1-phenyl-4-isoquinolinecarboxaldehyde IUPAC Name: 3-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]-1-phenylisoquinoline-4-carbaldehyde Traditional Name: 3-[4-[4-(4-fluorophenyl)-4-keto-butyl]piperazino]-1-phenyl-isoquinoline-4-carbaldehyde Formula: C30H28FN3O2 MolecularWeight: 481.560623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=C(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C=O

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=C(C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C=O

InChI

InChI=1S/C30H28FN3O2/c31-24-14-12-22(13-15-24)28(36)11-6-16-33-17-19-34(20-18-33)30-27(21-35)25-9-4-5-10-26(25)29(32-30)23-7-2-1-3-8-23/h1-5,7-10,12-15,21H,6,11,16-20H2