3-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]-1,1-diphenyl-urea

Systemtic Name: 3-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]-1,1-diphenyl-urea Openeye Name: 3-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,1-diphenyl-urea CAS Name: 3-[[(5-hex-1-ynyl-3-pyridinyl)-oxomethyl]amino]-1,1-diphenylurea IUPAC Name: 3-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,1-diphenylurea Traditional Name: 3-[(5-hex-1-ynylnicotinoyl)amino]-1,1-diphenyl-urea Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4O2/c1-2-3-4-7-12-20-17-21(19-26-18-20)24(30)27-28-25(31)29(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-19H,2-4H2,1H3,(H,27,30)(H,28,31)