isoquinolin-4-yl-[4-[10-(4-isoquinolin-4-ylcarbonylphenoxy)decoxy]phenyl]methanone

Systemtic Name: isoquinolin-4-yl-[4-[10-(4-isoquinolin-4-ylcarbonylphenoxy)decoxy]phenyl]methanone Openeye Name: [4-[10-[4-(isoquinoline-4-carbonyl)phenoxy]decoxy]phenyl]-(4-isoquinolyl)methanone CAS Name: 4-isoquinolinyl-[4-[10-[4-[4-isoquinolinyl(oxo)methyl]phenoxy]decoxy]phenyl]methanone IUPAC Name: [4-[10-[4-(isoquinoline-4-carbonyl)phenoxy]decoxy]phenyl]-isoquinolin-4-ylmethanone Traditional Name: [4-[10-[4-(isoquinoline-4-carbonyl)phenoxy]decoxy]phenyl]-(4-isoquinolyl)methanone Formula: C42H40N2O4 MolecularWeight: 636.778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C(=O)C3=CC=C(C=C3)OCCCCCCCCCCOC4=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)OCCCCCCCCCCOC4=CC=C(C=C4)C(=O)C5=CN=CC6=CC=CC=C65

InChI

InChI=1S/C42H40N2O4/c45-41(39-29-43-27-33-13-7-9-15-37(33)39)31-17-21-35(22-18-31)47-25-11-5-3-1-2-4-6-12-26-48-36-23-19-32(20-24-36)42(46)40-30-44-28-34-14-8-10-16-38(34)40/h7-10,13-24,27-30H,1-6,11-12,25-26H2