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

Systemtic Name: 2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxidanylideneazepan-1-yl)phenyl]hexanamide Openeye Name: 2-(7-isoquinolylmethyl)-N-[3-methyl-4-(2-oxoazepan-1-yl)phenyl]hexanamide CAS Name: 2-(7-isoquinolinylmethyl)-N-[3-methyl-4-(2-oxo-1-azepanyl)phenyl]hexanamide IUPAC Name: 2-(isoquinolin-7-ylmethyl)-N-[3-methyl-4-(2-oxoazepan-1-yl)phenyl]hexanamide Traditional Name: 2-(7-isoquinolylmethyl)-N-[4-(2-ketoazepan-1-yl)-3-methyl-phenyl]hexanamide Formula: C29H35N3O2 MolecularWeight: 457.6071

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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)N4CCCCCC4=O)C

Isomeric SMILES

CCCCC(CC1=CC2=C(C=C1)C=CN=C2)C(=O)NC3=CC(=C(C=C3)N4CCCCCC4=O)C

InChI

InChI=1S/C29H35N3O2/c1-3-4-8-24(18-22-10-11-23-14-15-30-20-25(23)19-22)29(34)31-26-12-13-27(21(2)17-26)32-16-7-5-6-9-28(32)33/h10-15,17,19-20,24H,3-9,16,18H2,1-2H3,(H,31,34)