4-[[4-[6-[4-(isoquinolin-4-ylmethyl)phenoxy]hexoxy]phenyl]methyl]isoquinoline

Systemtic Name: 4-[[4-[6-[4-(isoquinolin-4-ylmethyl)phenoxy]hexoxy]phenyl]methyl]isoquinoline Openeye Name: 4-[[4-[6-[4-(4-isoquinolylmethyl)phenoxy]hexoxy]phenyl]methyl]isoquinoline CAS Name: 4-[[4-[6-[4-(4-isoquinolinylmethyl)phenoxy]hexoxy]phenyl]methyl]isoquinoline IUPAC Name: 4-[[4-[6-[4-(isoquinolin-4-ylmethyl)phenoxy]hexoxy]phenyl]methyl]isoquinoline Traditional Name: 4-[4-[6-[4-(4-isoquinolylmethyl)phenoxy]hexoxy]benzyl]isoquinoline Formula: C38H36N2O2 MolecularWeight: 552.70464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)OCCCCCCOC4=CC=C(C=C4)CC5=CN=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CC3=CC=C(C=C3)OCCCCCCOC4=CC=C(C=C4)CC5=CN=CC6=CC=CC=C65

InChI

InChI=1S/C38H36N2O2/c1(7-21-41-35-17-13-29(14-18-35)23-33-27-39-25-31-9-3-5-11-37(31)33)2-8-22-42-36-19-15-30(16-20-36)24-34-28-40-26-32-10-4-6-12-38(32)34/h3-6,9-20,25-28H,1-2,7-8,21-24H2