N-(3-cyclopentyloxy-4-methoxy-phenyl)-N-(pyridin-4-ylmethyl)isoquinolin-4-amine

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-N-(pyridin-4-ylmethyl)isoquinolin-4-amine Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-(4-pyridylmethyl)isoquinolin-4-amine CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-4-isoquinolinamine IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)isoquinolin-4-amine Traditional Name: [3-(cyclopentoxy)-4-methoxy-phenyl]-(4-isoquinolyl)-(4-pyridylmethyl)amine Formula: C27H27N3O2 MolecularWeight: 425.52218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CC=NC=C2)C3=CN=CC4=CC=CC=C43)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CC=NC=C2)C3=CN=CC4=CC=CC=C43)OC5CCCC5

InChI

InChI=1S/C27H27N3O2/c1-31-26-11-10-22(16-27(26)32-23-7-3-4-8-23)30(19-20-12-14-28-15-13-20)25-18-29-17-21-6-2-5-9-24(21)25/h2,5-6,9-18,23H,3-4,7-8,19H2,1H3