1-(4-butanoylphenyl)-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(4-butanoylphenyl)-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-(4-butanoylphenyl)-3-(3-pyridylmethyl)urea CAS Name: 1-[4-(1-oxobutyl)phenyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-(4-butanoylphenyl)-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-(4-butyrylphenyl)-3-(3-pyridylmethyl)urea Formula: C17H19N3O2 MolecularWeight: 297.35166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C17H19N3O2/c1-2-4-16(21)14-6-8-15(9-7-14)20-17(22)19-12-13-5-3-10-18-11-13/h3,5-11H,2,4,12H2,1H3,(H2,19,20,22)