6-chloranyl-3-[1-(5,5-dimethyl-2-propan-2-yl-4H-imidazol-3-yl)-2-methyl-propyl]-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-[1-(5,5-dimethyl-2-propan-2-yl-4H-imidazol-3-yl)-2-methyl-propyl]-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-6-chloro-3-[1-(2-isopropyl-5,5-dimethyl-4H-imidazol-3-yl)-2-methyl-propyl]isoquinolin-1-one CAS Name: 6-chloro-3-[1-(5,5-dimethyl-2-propan-2-yl-4H-imidazol-3-yl)-2-methylpropyl]-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-6-chloro-3-[1-(5,5-dimethyl-2-propan-2-yl-4H-imidazol-3-yl)-2-methylpropyl]isoquinolin-1-one Traditional Name: 2-benzyl-6-chloro-3-[1-(2-isopropyl-4,4-dimethyl-2-imidazolin-1-yl)-2-methyl-propyl]isocarbostyril Formula: C28H34ClN3O MolecularWeight: 464.04206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(CN1C(C2=CC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C)(C)C

Isomeric SMILES

CC(C)C1=NC(CN1C(C2=CC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C)(C)C

InChI

InChI=1S/C28H34ClN3O/c1-18(2)25(32-17-28(5,6)30-26(32)19(3)4)24-15-21-14-22(29)12-13-23(21)27(33)31(24)16-20-10-8-7-9-11-20/h7-15,18-19,25H,16-17H2,1-6H3