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

Systemtic Name: 6-[4-[azanyl(phenyl)methyl]-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-[amino(phenyl)methyl]-4-(cyclopropylmethyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-[amino(phenyl)methyl]-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-[amino(phenyl)methyl]-4-(cyclopropylmethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-[amino(phenyl)methyl]-4-(cyclopropylmethyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C26H29ClN2O2 MolecularWeight: 436.97366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)C(C5=CC=CC=C5)N

Isomeric SMILES

C1CC1CC2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)C(C5=CC=CC=C5)N

InChI

InChI=1S/C26H29ClN2O2/c27-22-15-21-19(10-13-29-25(21)30)14-23(22)31-20-8-11-26(12-9-20,16-17-6-7-17)24(28)18-4-2-1-3-5-18/h1-5,10,13-15,17,20,24H,6-9,11-12,16,28H2,(H,29,30)