6-[4-(1-azanyl-2-methyl-propyl)-4-cyclohexyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanyl-2-methyl-propyl)-4-cyclohexyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-amino-2-methyl-propyl)-4-cyclohexyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-amino-2-methylpropyl)-4-cyclohexylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-amino-2-methylpropyl)-4-cyclohexylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-amino-2-methyl-propyl)-4-cyclohexyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCCCC4)N

Isomeric SMILES

CC(C)C(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCCCC4)N

InChI

InChI=1S/C25H35ClN2O2/c1-16(2)23(27)25(18-6-4-3-5-7-18)11-8-19(9-12-25)30-22-14-17-10-13-28-24(29)20(17)15-21(22)26/h10,13-16,18-19,23H,3-9,11-12,27H2,1-2H3,(H,28,29)