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

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-N-(pyridin-3-ylmethyl)isoquinolin-4-amine Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-N-(3-pyridylmethyl)isoquinolin-4-amine CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(3-pyridinylmethyl)-4-isoquinolinamine IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)isoquinolin-4-amine Traditional Name: [3-(cyclopentoxy)-4-methoxy-phenyl]-(4-isoquinolyl)-(3-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=CN=CC=C2)C3=CN=CC4=CC=CC=C43)OC5CCCC5

Isomeric SMILES

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

InChI

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