6-(4-azanyl-4-prop-2-enyl-cyclohexyl)oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-(4-azanyl-4-prop-2-enyl-cyclohexyl)oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-(4-allyl-4-amino-cyclohexoxy)-7-chloro-2H-isoquinolin-1-one CAS Name: 6-(4-amino-4-prop-2-enylcyclohexyl)oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-(4-amino-4-prop-2-enylcyclohexyl)oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-(4-allyl-4-amino-cyclohexoxy)-7-chloro-isocarbostyril Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

Isomeric SMILES

C=CCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

InChI

InChI=1S/C18H21ClN2O2/c1-2-6-18(20)7-3-13(4-8-18)23-16-10-12-5-9-21-17(22)14(12)11-15(16)19/h2,5,9-11,13H,1,3-4,6-8,20H2,(H,21,22)