1-(3-azanyl-4-chloranyl-phenyl)-6,7-dimethoxy-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-6,7-dimethoxy-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(3-amino-4-chloro-phenyl)-6,7-dimethoxy-4-[2-(1-piperidyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(3-amino-4-chlorophenyl)-6,7-dimethoxy-4-[2-(1-piperidinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(3-amino-4-chlorophenyl)-6,7-dimethoxy-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(3-amino-4-chloro-phenyl)-6,7-dimethoxy-4-(2-piperidinoethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(=O)C(C2=C1)CCN3CCCCC3)C4=CC(=C(C=C4)Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(NC(=O)C(C2=C1)CCN3CCCCC3)C4=CC(=C(C=C4)Cl)N)OC

InChI

InChI=1S/C24H30ClN3O3/c1-30-21-13-17-16(8-11-28-9-4-3-5-10-28)24(29)27-23(18(17)14-22(21)31-2)15-6-7-19(25)20(26)12-15/h6-7,12-14,16,23H,3-5,8-11,26H2,1-2H3,(H,27,29)