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

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[2-(1-azepanyl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclohexyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(azepan-1-yl)ethyl]-N-cyclohexyl-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CCN3CCCCCC3)C(=O)NC4CCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CCN3CCCCCC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C25H37N3O2/c1-25(24(30)26-21-12-5-4-6-13-21)19-20-11-7-8-14-22(20)23(29)28(25)18-17-27-15-9-2-3-10-16-27/h7-8,11,14,21H,2-6,9-10,12-13,15-19H2,1H3,(H,26,30)