N-cyclooctyl-3-methyl-1-oxidanylidene-2-(pyridin-3-ylmethyl)-4H-isoquinoline-3-carboxamide

Systemtic Name: N-cyclooctyl-3-methyl-1-oxidanylidene-2-(pyridin-3-ylmethyl)-4H-isoquinoline-3-carboxamide Openeye Name: N-cyclooctyl-3-methyl-1-oxo-2-(3-pyridylmethyl)-4H-isoquinoline-3-carboxamide CAS Name: N-cyclooctyl-3-methyl-1-oxo-2-(3-pyridinylmethyl)-4H-isoquinoline-3-carboxamide IUPAC Name: N-cyclooctyl-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-isoquinoline-3-carboxamide Traditional Name: N-cyclooctyl-1-keto-3-methyl-2-(3-pyridylmethyl)-4H-isoquinoline-3-carboxamide Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C25H31N3O2/c1-25(24(30)27-21-12-5-3-2-4-6-13-21)16-20-11-7-8-14-22(20)23(29)28(25)18-19-10-9-15-26-17-19/h7-11,14-15,17,21H,2-6,12-13,16,18H2,1H3,(H,27,30)