6-[4-(1-azanylpropyl)-4-(3-methoxy-4-methyl-phenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(3-methoxy-4-methyl-phenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(3-methoxy-4-methyl-phenyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(3-methoxy-4-methylphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(3-methoxy-4-methylphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(3-methoxy-4-methyl-phenyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4=CC(=C(C=C4)C)OC)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4=CC(=C(C=C4)C)OC)N

InChI

InChI=1S/C26H31ClN2O3/c1-4-24(28)26(18-6-5-16(2)22(14-18)31-3)10-7-19(8-11-26)32-23-13-17-9-12-29-25(30)20(17)15-21(23)27/h5-6,9,12-15,19,24H,4,7-8,10-11,28H2,1-3H3,(H,29,30)