1-[2-[1-[2-[3,4-bis(fluoranyl)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-ethyl-3-methyl-quinolin-4-yl]urea

Systemtic Name: 1-[2-[1-[2-[3,4-bis(fluoranyl)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-ethyl-3-methyl-quinolin-4-yl]urea Openeye Name: [2-[1-[2-(3,4-difluorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-ethyl-3-methyl-4-quinolyl]urea CAS Name: [2-[1-[2-(3,4-difluorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-ethyl-3-methyl-4-quinolinyl]urea IUPAC Name: [2-[1-[2-(3,4-difluorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-ethyl-3-methylquinolin-4-yl]urea Traditional Name: [2-[1-[2-(3,4-difluorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-ethyl-3-methyl-4-quinolyl]urea Formula: C32H34F2N4O3 MolecularWeight: 560.634166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N=C(C(=C2NC(=O)N)C)N3CCC4=CC(=C(C=C4C3CCC5=CC(=C(C=C5)F)F)OC)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)N=C(C(=C2NC(=O)N)C)N3CCC4=CC(=C(C=C4C3CCC5=CC(=C(C=C5)F)F)OC)OC

InChI

InChI=1S/C32H34F2N4O3/c1-5-20-7-6-8-25-29(20)30(37-32(35)39)18(2)31(36-25)38-14-13-21-16-27(40-3)28(41-4)17-22(21)26(38)12-10-19-9-11-23(33)24(34)15-19/h6-9,11,15-17,26H,5,10,12-14H2,1-4H3,(H3,35,36,37,39)