2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]hexanamide

Systemtic Name: 2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]hexanamide Openeye Name: 2-(7-isoquinolylmethyl)-N-[3-methyl-4-(2-oxo-1-piperidyl)phenyl]hexanamide CAS Name: 2-(7-isoquinolinylmethyl)-N-[3-methyl-4-(2-oxo-1-piperidinyl)phenyl]hexanamide IUPAC Name: 2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]hexanamide Traditional Name: 2-(7-isoquinolylmethyl)-N-[4-(2-ketopiperidino)-3-methyl-phenyl]hexanamide Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC2=C(C=C1)C=CN=C2)C(=O)NC3=CC(=C(C=C3)N4CCCCC4=O)C

Isomeric SMILES

CCCCC(CC1=CC2=C(C=C1)C=CN=C2)C(=O)NC3=CC(=C(C=C3)N4CCCCC4=O)C

InChI

InChI=1S/C28H33N3O2/c1-3-4-7-23(17-21-9-10-22-13-14-29-19-24(22)18-21)28(33)30-25-11-12-26(20(2)16-25)31-15-6-5-8-27(31)32/h9-14,16,18-19,23H,3-8,15,17H2,1-2H3,(H,30,33)