isoquinolin-4-yl-[4-[4-(4-isoquinolin-4-ylcarbonylphenoxy)butoxy]phenyl]methanone

Systemtic Name: isoquinolin-4-yl-[4-[4-(4-isoquinolin-4-ylcarbonylphenoxy)butoxy]phenyl]methanone Openeye Name: [4-[4-[4-(isoquinoline-4-carbonyl)phenoxy]butoxy]phenyl]-(4-isoquinolyl)methanone CAS Name: 4-isoquinolinyl-[4-[4-[4-[4-isoquinolinyl(oxo)methyl]phenoxy]butoxy]phenyl]methanone IUPAC Name: [4-[4-[4-(isoquinoline-4-carbonyl)phenoxy]butoxy]phenyl]-isoquinolin-4-ylmethanone Traditional Name: [4-[4-[4-(isoquinoline-4-carbonyl)phenoxy]butoxy]phenyl]-(4-isoquinolyl)methanone Formula: C36H28N2O4 MolecularWeight: 552.61852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C(=O)C3=CC=C(C=C3)OCCCCOC4=CC=C(C=C4)C(=O)C5=CN=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C(=O)C3=CC=C(C=C3)OCCCCOC4=CC=C(C=C4)C(=O)C5=CN=CC6=CC=CC=C65

InChI

InChI=1S/C36H28N2O4/c39-35(33-23-37-21-27-7-1-3-9-31(27)33)25-11-15-29(16-12-25)41-19-5-6-20-42-30-17-13-26(14-18-30)36(40)34-24-38-22-28-8-2-4-10-32(28)34/h1-4,7-18,21-24H,5-6,19-20H2