4-[bis(azanyl)methylideneamino]-2-cyclohexyl-N-(1-oxidanylidene-2H-isoquinolin-6-yl)butanamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2-cyclohexyl-N-(1-oxidanylidene-2H-isoquinolin-6-yl)butanamide Openeye Name: 2-cyclohexyl-4-guanidino-N-(1-oxo-2H-isoquinolin-6-yl)butanamide CAS Name: 2-cyclohexyl-4-(diaminomethylideneamino)-N-(1-oxo-2H-isoquinolin-6-yl)butanamide IUPAC Name: 2-cyclohexyl-4-(diaminomethylideneamino)-N-(1-oxo-2H-isoquinolin-6-yl)butanamide Traditional Name: 2-cyclohexyl-4-guanidino-N-(1-keto-2H-isoquinolin-6-yl)butyramide Formula: C20H27N5O2 MolecularWeight: 369.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3

Isomeric SMILES

C1CCC(CC1)C(CCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3

InChI

InChI=1S/C20H27N5O2/c21-20(22)24-11-9-17(13-4-2-1-3-5-13)19(27)25-15-6-7-16-14(12-15)8-10-23-18(16)26/h6-8,10,12-13,17H,1-5,9,11H2,(H,23,26)(H,25,27)(H4,21,22,24)