1-[3,5-bis(chloranyl)phenyl]-3-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]urea

Systemtic Name: 1-[3,5-bis(chloranyl)phenyl]-3-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]urea Openeye Name: 1-(3,5-dichlorophenyl)-3-[(5-oct-1-ynylpyridine-3-carbonyl)amino]urea CAS Name: 1-(3,5-dichlorophenyl)-3-[[(5-oct-1-ynyl-3-pyridinyl)-oxomethyl]amino]urea IUPAC Name: 1-(3,5-dichlorophenyl)-3-[(5-oct-1-ynylpyridine-3-carbonyl)amino]urea Traditional Name: 1-(3,5-dichlorophenyl)-3-[(5-oct-1-ynylnicotinoyl)amino]urea Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O2/c1-2-3-4-5-6-7-8-15-9-16(14-24-13-15)20(28)26-27-21(29)25-19-11-17(22)10-18(23)12-19/h9-14H,2-6H2,1H3,(H,26,28)(H2,25,27,29)