N-(isoquinolin-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine

Systemtic Name: N-(isoquinolin-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine Openeye Name: N-(5-isoquinolylmethyl)-1-[1-(2-methoxyethyl)-4-piperidyl]-N-(4-pyridylmethyl)methanamine CAS Name: N-(5-isoquinolinylmethyl)-1-[1-(2-methoxyethyl)-4-piperidinyl]-N-(pyridin-4-ylmethyl)methanamine IUPAC Name: N-(isoquinolin-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine Traditional Name: 5-isoquinolylmethyl-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-(4-pyridylmethyl)amine Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCC(CC1)CN(CC2=CC=NC=C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COCCN1CCC(CC1)CN(CC2=CC=NC=C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H32N4O/c1-30-16-15-28-13-8-22(9-14-28)19-29(18-21-5-10-26-11-6-21)20-24-4-2-3-23-17-27-12-7-25(23)24/h2-7,10-12,17,22H,8-9,13-16,18-20H2,1H3