1-[2-(3,4-dichlorophenyl)-4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-3H-isoquinolin-1-yl]ethanone

Systemtic Name: 1-[2-(3,4-dichlorophenyl)-4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-3H-isoquinolin-1-yl]ethanone Openeye Name: 1-[2-(3,4-dichlorophenyl)-4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-3H-isoquinolin-1-yl]ethanone CAS Name: 1-[2-(3,4-dichlorophenyl)-4,4-dimethyl-1-(1-pyrrolidinylmethyl)-3H-isoquinolin-1-yl]ethanone IUPAC Name: 1-[2-(3,4-dichlorophenyl)-4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-3H-isoquinolin-1-yl]ethanone Traditional Name: 1-[2-(3,4-dichlorophenyl)-4,4-dimethyl-1-(pyrrolidinomethyl)-3H-isoquinolin-1-yl]ethanone Formula: C24H28Cl2N2O MolecularWeight: 431.39792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2=CC=CC=C2C(CN1C3=CC(=C(C=C3)Cl)Cl)(C)C)CN4CCCC4

Isomeric SMILES

CC(=O)C1(C2=CC=CC=C2C(CN1C3=CC(=C(C=C3)Cl)Cl)(C)C)CN4CCCC4

InChI

InChI=1S/C24H28Cl2N2O/c1-17(29)24(16-27-12-6-7-13-27)20-9-5-4-8-19(20)23(2,3)15-28(24)18-10-11-21(25)22(26)14-18/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3