1-[2-[(3-chloranyl-1,1-dicyano-prop-1-en-2-yl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea

Systemtic Name: 1-[2-[(3-chloranyl-1,1-dicyano-prop-1-en-2-yl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Openeye Name: 1-[2-[[1-(chloromethyl)-2,2-dicyano-vinyl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea CAS Name: 1-[2-[(3-chloro-1,1-dicyanoprop-1-en-2-yl)amino]phenyl]-3-(6-phenyl-3-pyridazinyl)urea IUPAC Name: 1-[2-[(3-chloro-1,1-dicyanoprop-1-en-2-yl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Traditional Name: 1-[2-[[1-(chloromethyl)-2,2-dicyano-vinyl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Formula: C22H16ClN7O MolecularWeight: 429.86174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3NC(=C(C#N)C#N)CCl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3NC(=C(C#N)C#N)CCl

InChI

InChI=1S/C22H16ClN7O/c23-12-20(16(13-24)14-25)26-18-8-4-5-9-19(18)27-22(31)28-21-11-10-17(29-30-21)15-6-2-1-3-7-15/h1-11,26H,12H2,(H2,27,28,30,31)