6-[4-(1-azanyl-3-methyl-butyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanyl-3-methyl-butyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-amino-3-methyl-butyl)-4-(cyclopropylmethyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-amino-3-methylbutyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-amino-3-methylbutyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-amino-3-methyl-butyl)-4-(cyclopropylmethyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C24H33ClN2O2 MolecularWeight: 416.98402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)CC4CC4)N

Isomeric SMILES

CC(C)CC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)CC4CC4)N

InChI

InChI=1S/C24H33ClN2O2/c1-15(2)11-22(26)24(14-16-3-4-16)8-5-18(6-9-24)29-21-12-17-7-10-27-23(28)19(17)13-20(21)25/h7,10,12-13,15-16,18,22H,3-6,8-9,11,14,26H2,1-2H3,(H,27,28)