1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-phenethyl-urea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-phenethyl-urea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-phenethyl-urea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-phenethylurea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-phenethylurea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-phenethyl-urea Formula: C27H26FN3O2 MolecularWeight: 443.512643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H26FN3O2/c1-18-8-9-21-16-22(26(32)30-25(21)19(18)2)17-31(15-14-20-6-4-3-5-7-20)27(33)29-24-12-10-23(28)11-13-24/h3-13,16H,14-15,17H2,1-2H3,(H,29,33)(H,30,32)