2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[2-(1-azepanyl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C27H41N3O2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CCN3CCCCCC3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CCN3CCCCCC3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H41N3O2/c1-27(26(32)28-23-14-7-3-2-4-8-15-23)21-22-13-9-10-16-24(22)25(31)30(27)20-19-29-17-11-5-6-12-18-29/h9-10,13,16,23H,2-8,11-12,14-15,17-21H2,1H3,(H,28,32)