1-[2-[1-[(3-fluorophenyl)-methoxy-methyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-yl-urea

Systemtic Name: 1-[2-[1-[(3-fluorophenyl)-methoxy-methyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-yl-urea Openeye Name: 1-[2-[1-[(3-fluorophenyl)-methoxy-methyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(4-quinolyl)urea CAS Name: 1-[2-[1-[(3-fluorophenyl)-methoxymethyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(4-quinolinyl)urea IUPAC Name: 1-[2-[1-[(3-fluorophenyl)-methoxymethyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-quinolin-4-ylurea Traditional Name: 1-[2-[1-[(3-fluorophenyl)-methoxy-methyl]-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3-(4-quinolyl)urea Formula: C31H33FN4O4 MolecularWeight: 544.616523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(N(CCC2=C1)CCNC(=O)NC3=CC=NC4=CC=CC=C43)C(C5=CC(=CC=C5)F)OC)OC

Isomeric SMILES

COC1=CC(=C2C(N(CCC2=C1)CCNC(=O)NC3=CC=NC4=CC=CC=C43)C(C5=CC(=CC=C5)F)OC)OC

InChI

InChI=1S/C31H33FN4O4/c1-38-23-18-20-12-15-36(16-14-34-31(37)35-26-11-13-33-25-10-5-4-9-24(25)26)29(28(20)27(19-23)39-2)30(40-3)21-7-6-8-22(32)17-21/h4-11,13,17-19,29-30H,12,14-16H2,1-3H3,(H2,33,34,35,37)