2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-N-(cycloheptylmethyl)-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-N-(cycloheptylmethyl)-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: 2-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-N-(cycloheptylmethyl)-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-[(2S)-1-amino-1-oxopropan-2-yl]-N-(cycloheptylmethyl)-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-[(2S)-1-amino-1-oxopropan-2-yl]-N-(cycloheptylmethyl)-1-oxoisoquinoline-5-carboxamide Traditional Name: 2-[(1S)-2-amino-2-keto-1-methyl-ethyl]-N-(cycloheptylmethyl)-1-keto-isoquinoline-5-carboxamide Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-14(19(22)25)24-12-11-16-17(9-6-10-18(16)21(24)27)20(26)23-13-15-7-4-2-3-5-8-15/h6,9-12,14-15H,2-5,7-8,13H2,1H3,(H2,22,25)(H,23,26)/t14-/m0/s1