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

Systemtic Name: N-(isoquinolin-5-ylmethyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine Openeye Name: N-(5-isoquinolylmethyl)-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]-N-(4-pyridylmethyl)methanamine CAS Name: N-(5-isoquinolinylmethyl)-1-[1-(1-methyl-4-piperidinyl)-4-piperidinyl]-N-(pyridin-4-ylmethyl)methanamine IUPAC Name: N-(isoquinolin-5-ylmethyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine Traditional Name: 5-isoquinolylmethyl-[[1-(1-methyl-4-piperidyl)-4-piperidyl]methyl]-(4-pyridylmethyl)amine Formula: C28H37N5 MolecularWeight: 443.62688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC(CC2)CN(CC3=CC=NC=C3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN1CCC(CC1)N2CCC(CC2)CN(CC3=CC=NC=C3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H37N5/c1-31-15-10-27(11-16-31)33-17-8-24(9-18-33)21-32(20-23-5-12-29-13-6-23)22-26-4-2-3-25-19-30-14-7-28(25)26/h2-7,12-14,19,24,27H,8-11,15-18,20-22H2,1H3