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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(3-ethoxyphenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(3-ethoxyphenyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(3-ethoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(3-ethoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-m-phenetyl-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(=CC=C4)OCC)N

Isomeric SMILES

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

InChI

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