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

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-N-cycloheptyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(azepan-1-yl)ethyl]-N-cycloheptyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[2-(1-azepanyl)ethyl]-N-cycloheptyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-N-cycloheptyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(azepan-1-yl)ethyl]-N-cycloheptyl-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CCN3CCCCCC3)C(=O)NC4CCCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CCN3CCCCCC3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C26H39N3O2/c1-26(25(31)27-22-13-6-2-3-7-14-22)20-21-12-8-9-15-23(21)24(30)29(26)19-18-28-16-10-4-5-11-17-28/h8-9,12,15,22H,2-7,10-11,13-14,16-20H2,1H3,(H,27,31)