4-[[4-[4-[4-(isoquinolin-4-ylmethyl)phenoxy]butoxy]phenyl]methyl]isoquinoline

Systemtic Name: 4-[[4-[4-[4-(isoquinolin-4-ylmethyl)phenoxy]butoxy]phenyl]methyl]isoquinoline Openeye Name: 4-[[4-[4-[4-(4-isoquinolylmethyl)phenoxy]butoxy]phenyl]methyl]isoquinoline CAS Name: 4-[[4-[4-[4-(4-isoquinolinylmethyl)phenoxy]butoxy]phenyl]methyl]isoquinoline IUPAC Name: 4-[[4-[4-[4-(isoquinolin-4-ylmethyl)phenoxy]butoxy]phenyl]methyl]isoquinoline Traditional Name: 4-[4-[4-[4-(4-isoquinolylmethyl)phenoxy]butoxy]benzyl]isoquinoline Formula: C36H32N2O2 MolecularWeight: 524.65148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)OCCCCOC4=CC=C(C=C4)CC5=CN=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)OCCCCOC4=CC=C(C=C4)CC5=CN=CC6=CC=CC=C65

InChI

InChI=1S/C36H32N2O2/c1-3-9-35-29(7-1)23-37-25-31(35)21-27-11-15-33(16-12-27)39-19-5-6-20-40-34-17-13-28(14-18-34)22-32-26-38-24-30-8-2-4-10-36(30)32/h1-4,7-18,23-26H,5-6,19-22H2