3-[1-(isoquinolin-5-ylmethyl)piperidin-4-yl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: 3-[1-(isoquinolin-5-ylmethyl)piperidin-4-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[1-(5-isoquinolylmethyl)-4-piperidyl]-N-methyl-propanamide CAS Name: 3-[1-(5-isoquinolinylmethyl)-4-piperidinyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[1-(isoquinolin-5-ylmethyl)piperidin-4-yl]-N-methylpropanamide Traditional Name: N-benzyl-3-[1-(5-isoquinolylmethyl)-4-piperidyl]-N-methyl-propionamide Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCC2CCN(CC2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCC2CCN(CC2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H31N3O/c1-28(19-22-6-3-2-4-7-22)26(30)11-10-21-13-16-29(17-14-21)20-24-9-5-8-23-18-27-15-12-25(23)24/h2-9,12,15,18,21H,10-11,13-14,16-17,19-20H2,1H3