3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-phenyl-isoquinoline-4-carbaldehyde

Systemtic Name: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-phenyl-isoquinoline-4-carbaldehyde Openeye Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-phenyl-isoquinoline-4-carbaldehyde CAS Name: 3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-phenyl-4-isoquinolinecarboxaldehyde IUPAC Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-phenylisoquinoline-4-carbaldehyde Traditional Name: 3-[4-(2-furoyl)piperazino]-1-phenyl-isoquinoline-4-carbaldehyde Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C=O)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C=O)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H21N3O3/c29-17-21-19-9-4-5-10-20(19)23(18-7-2-1-3-8-18)26-24(21)27-12-14-28(15-13-27)25(30)22-11-6-16-31-22/h1-11,16-17H,12-15H2