6-chloranyl-N-(cycloheptylmethyl)-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-(cycloheptylmethyl)-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: 6-chloro-N-(cycloheptylmethyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 6-chloro-N-(cycloheptylmethyl)-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-(cycloheptylmethyl)-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 6-chloro-N-(cycloheptylmethyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C21H27ClN2O3 MolecularWeight: 390.90368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3CCCCCC3)Cl

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3CCCCCC3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-14(13-25)24-11-10-16-17(21(24)27)8-9-18(22)19(16)20(26)23-12-15-6-4-2-3-5-7-15/h8-11,14-15,25H,2-7,12-13H2,1H3,(H,23,26)/t14-/m1/s1