1-(2-cyanoethyl)-3-phenyl-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-phenyl-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-(2-cyanoethyl)-3-phenyl-1-(3-pyridylmethyl)urea CAS Name: 1-(2-cyanoethyl)-3-phenyl-1-(3-pyridinylmethyl)urea IUPAC Name: 1-(2-cyanoethyl)-3-phenyl-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-(2-cyanoethyl)-3-phenyl-1-(3-pyridylmethyl)urea Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C16H16N4O/c17-9-5-11-20(13-14-6-4-10-18-12-14)16(21)19-15-7-2-1-3-8-15/h1-4,6-8,10,12H,5,11,13H2,(H,19,21)