6-[4-(1-azanylpropyl)-4-(oxan-4-ylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(oxan-4-ylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(tetrahydropyran-4-ylmethyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(4-oxanylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(oxan-4-ylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(tetrahydropyran-4-ylmethyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C24H33ClN2O3 MolecularWeight: 432.98342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)CC4CCOCC4)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)CC4CCOCC4)N

InChI

InChI=1S/C24H33ClN2O3/c1-2-22(26)24(15-16-6-11-29-12-7-16)8-3-18(4-9-24)30-21-13-17-5-10-27-23(28)19(17)14-20(21)25/h5,10,13-14,16,18,22H,2-4,6-9,11-12,15,26H2,1H3,(H,27,28)