6-[4-(1-azanylbutyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylbutyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminobutyl)-4-(cyclopropylmethyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminobutyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminobutyl)-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminobutyl)-4-(cyclopropylmethyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O2/c1-2-3-21(25)23(14-15-4-5-15)9-6-17(7-10-23)28-20-12-16-8-11-26-22(27)18(16)13-19(20)24/h8,11-13,15,17,21H,2-7,9-10,14,25H2,1H3,(H,26,27)