1-cyclohexyl-3-[4-[2-oxidanyl-3-[[(E)-4-oxidanylidene-4-pyridin-3-yl-but-2-en-2-yl]amino]propoxy]phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-[2-oxidanyl-3-[[(E)-4-oxidanylidene-4-pyridin-3-yl-but-2-en-2-yl]amino]propoxy]phenyl]urea Openeye Name: 1-cyclohexyl-3-[4-[2-hydroxy-3-[[(E)-1-methyl-3-oxo-3-(3-pyridyl)prop-1-enyl]amino]propoxy]phenyl]urea CAS Name: 1-cyclohexyl-3-[4-[2-hydroxy-3-[[(E)-4-oxo-4-(3-pyridinyl)but-2-en-2-yl]amino]propoxy]phenyl]urea IUPAC Name: 1-cyclohexyl-3-[4-[2-hydroxy-3-[[(E)-4-oxo-4-pyridin-3-ylbut-2-en-2-yl]amino]propoxy]phenyl]urea Traditional Name: 1-cyclohexyl-3-[4-[2-hydroxy-3-[[(E)-3-keto-1-methyl-3-(3-pyridyl)prop-1-enyl]amino]propoxy]phenyl]urea Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CN=CC=C1)NCC(COC2=CC=C(C=C2)NC(=O)NC3CCCCC3)O

Isomeric SMILES

C/C(=C\C(=O)C1=CN=CC=C1)/NCC(COC2=CC=C(C=C2)NC(=O)NC3CCCCC3)O

InChI

InChI=1S/C25H32N4O4/c1-18(14-24(31)19-6-5-13-26-15-19)27-16-22(30)17-33-23-11-9-21(10-12-23)29-25(32)28-20-7-3-2-4-8-20/h5-6,9-15,20,22,27,30H,2-4,7-8,16-17H2,1H3,(H2,28,29,32)/b18-14+