1-(2-cyanoethyl)-3-[2,6-di(propan-2-yl)phenyl]-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-[2,6-di(propan-2-yl)phenyl]-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-(2-cyanoethyl)-3-(2,6-diisopropylphenyl)-1-(3-pyridylmethyl)urea CAS Name: 1-(2-cyanoethyl)-3-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridinylmethyl)urea IUPAC Name: 1-(2-cyanoethyl)-3-[2,6-di(propan-2-yl)phenyl]-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-(2-cyanoethyl)-3-(2,6-diisopropylphenyl)-1-(3-pyridylmethyl)urea Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O/c1-16(2)19-9-5-10-20(17(3)4)21(19)25-22(27)26(13-7-11-23)15-18-8-6-12-24-14-18/h5-6,8-10,12,14,16-17H,7,13,15H2,1-4H3,(H,25,27)