N-(isoquinolin-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: N-(isoquinolin-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: N-(5-isoquinolylmethyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-piperidine-3-carboxamide CAS Name: N-(5-isoquinolinylmethyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide IUPAC Name: N-(isoquinolin-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide Traditional Name: N-(5-isoquinolylmethyl)-6-keto-1-m-anisyl-N-methyl-nipecotamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3CCC(=O)N(C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3CCC(=O)N(C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27N3O3/c1-27(16-20-7-4-6-19-14-26-12-11-23(19)20)25(30)21-9-10-24(29)28(17-21)15-18-5-3-8-22(13-18)31-2/h3-8,11-14,21H,9-10,15-17H2,1-2H3