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

Systemtic Name: 3-(4-bromophenyl)-1-butan-2-yl-1-[(2-chloranylquinolin-3-yl)methyl]urea Openeye Name: 3-(4-bromophenyl)-1-[(2-chloro-3-quinolyl)methyl]-1-sec-butyl-urea CAS Name: 3-(4-bromophenyl)-1-butan-2-yl-1-[(2-chloro-3-quinolinyl)methyl]urea IUPAC Name: 3-(4-bromophenyl)-1-butan-2-yl-1-[(2-chloroquinolin-3-yl)methyl]urea Traditional Name: 3-(4-bromophenyl)-1-[(2-chloro-3-quinolyl)methyl]-1-sec-butyl-urea Formula: C21H21BrClN3O MolecularWeight: 446.76794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC2=CC=CC=C2N=C1Cl)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C)N(CC1=CC2=CC=CC=C2N=C1Cl)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrClN3O/c1-3-14(2)26(21(27)24-18-10-8-17(22)9-11-18)13-16-12-15-6-4-5-7-19(15)25-20(16)23/h4-12,14H,3,13H2,1-2H3,(H,24,27)