3-(4-bromanyl-2-methyl-phenyl)-1,1-bis(pyridin-2-ylmethyl)urea

Systemtic Name: 3-(4-bromanyl-2-methyl-phenyl)-1,1-bis(pyridin-2-ylmethyl)urea Openeye Name: 3-(4-bromo-2-methyl-phenyl)-1,1-bis(2-pyridylmethyl)urea CAS Name: 3-(4-bromo-2-methylphenyl)-1,1-bis(2-pyridinylmethyl)urea IUPAC Name: 3-(4-bromo-2-methylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea Traditional Name: 3-(4-bromo-2-methyl-phenyl)-1,1-bis(2-pyridylmethyl)urea Formula: C20H19BrN4O MolecularWeight: 411.29506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)N(CC2=CC=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)N(CC2=CC=CC=N2)CC3=CC=CC=N3

InChI

InChI=1S/C20H19BrN4O/c1-15-12-16(21)8-9-19(15)24-20(26)25(13-17-6-2-4-10-22-17)14-18-7-3-5-11-23-18/h2-12H,13-14H2,1H3,(H,24,26)