1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-fluoranyl-5-nitro-phenyl)urea

Systemtic Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-fluoranyl-5-nitro-phenyl)urea Openeye Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-fluoro-5-nitro-phenyl)urea CAS Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-fluoro-5-nitrophenyl)urea IUPAC Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-fluoro-5-nitrophenyl)urea Traditional Name: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(2-fluoro-5-nitro-phenyl)urea Formula: C25H23FN4O5 MolecularWeight: 478.472323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F)OC

InChI

InChI=1S/C25H23FN4O5/c1-34-23-12-16-9-10-27-21(19(16)14-24(23)35-2)11-15-3-5-17(6-4-15)28-25(31)29-22-13-18(30(32)33)7-8-20(22)26/h3-8,12-14H,9-11H2,1-2H3,(H2,28,29,31)