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

Systemtic Name: 1-pentan-2-yl-3-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]urea Openeye Name: 1-(1-methylbutyl)-3-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]urea CAS Name: 1-pentan-2-yl-3-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]urea IUPAC Name: 1-pentan-2-yl-3-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]urea Traditional Name: 1-(1-methylbutyl)-3-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]urea Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O2/c1-3-9-18(2)24-21(26)23-11-5-8-15-27-20-16-19(10-12-22-20)17-25-13-6-4-7-14-25/h5,8,10,12,16,18H,3-4,6-7,9,11,13-15,17H2,1-2H3,(H2,23,24,26)/b8-5+