1-[4-(5-bromanyl-2-methoxy-phenyl)-1-butyl-2-oxidanylidene-pyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-[4-(5-bromanyl-2-methoxy-phenyl)-1-butyl-2-oxidanylidene-pyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-[4-(5-bromo-2-methoxy-phenyl)-1-butyl-2-oxo-3-pyridyl]-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[4-(5-bromo-2-methoxyphenyl)-1-butyl-2-oxo-3-pyridinyl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-[4-(5-bromo-2-methoxyphenyl)-1-butyl-2-oxopyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[4-(5-bromo-2-methoxy-phenyl)-1-butyl-2-keto-3-pyridyl]-3-(2,6-diisopropylphenyl)urea Formula: C29H36BrN3O3 MolecularWeight: 554.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C29H36BrN3O3/c1-7-8-15-33-16-14-23(24-17-20(30)12-13-25(24)36-6)27(28(33)34)32-29(35)31-26-21(18(2)3)10-9-11-22(26)19(4)5/h9-14,16-19H,7-8,15H2,1-6H3,(H2,31,32,35)