3-(4-bromophenyl)-1-[(2-chloranylquinolin-3-yl)methyl]-1-phenethyl-urea

Systemtic Name: 3-(4-bromophenyl)-1-[(2-chloranylquinolin-3-yl)methyl]-1-phenethyl-urea Openeye Name: 3-(4-bromophenyl)-1-[(2-chloro-3-quinolyl)methyl]-1-phenethyl-urea CAS Name: 3-(4-bromophenyl)-1-[(2-chloro-3-quinolinyl)methyl]-1-phenethylurea IUPAC Name: 3-(4-bromophenyl)-1-[(2-chloroquinolin-3-yl)methyl]-1-phenethylurea Traditional Name: 3-(4-bromophenyl)-1-[(2-chloro-3-quinolyl)methyl]-1-phenethyl-urea Formula: C25H21BrClN3O MolecularWeight: 494.81074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC3=CC=CC=C3N=C2Cl)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC3=CC=CC=C3N=C2Cl)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrClN3O/c26-21-10-12-22(13-11-21)28-25(31)30(15-14-18-6-2-1-3-7-18)17-20-16-19-8-4-5-9-23(19)29-24(20)27/h1-13,16H,14-15,17H2,(H,28,31)