1-heptan-2-yl-3-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]urea

Systemtic Name: 1-heptan-2-yl-3-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]urea Openeye Name: 1-(1-methylhexyl)-3-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]urea CAS Name: 1-heptan-2-yl-3-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]urea IUPAC Name: 1-heptan-2-yl-3-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]urea Traditional Name: 1-(1-methylhexyl)-3-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]urea Formula: C23H38N4O2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NCC=CCOC1=NC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CCCCCC(C)NC(=O)NC/C=C/COC1=NC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C23H38N4O2/c1-3-4-6-11-20(2)26-23(28)25-13-7-10-17-29-22-18-21(12-14-24-22)19-27-15-8-5-9-16-27/h7,10,12,14,18,20H,3-6,8-9,11,13,15-17,19H2,1-2H3,(H2,25,26,28)/b10-7+