1-(3-chloranylpropyl)-3-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]urea

Systemtic Name: 1-(3-chloranylpropyl)-3-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]urea Openeye Name: 1-(3-chloropropyl)-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea CAS Name: 1-(3-chloropropyl)-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]urea IUPAC Name: 1-(3-chloropropyl)-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea Traditional Name: 1-(3-chloropropyl)-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea Formula: C25H23ClN6O2 MolecularWeight: 474.94212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)NCCCCl)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)NCCCCl)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN6O2/c1-17-22(31-25(33)28-13-5-12-26)16-32-24(17)23(18(14-27)15-29-32)30-19-8-10-21(11-9-19)34-20-6-3-2-4-7-20/h2-4,6-11,15-16,30H,5,12-13H2,1H3,(H2,28,31,33)