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

Systemtic Name: 1-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]-3-phenyl-urea Openeye Name: 1-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-3-phenyl-urea CAS Name: 1-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-3-phenylurea IUPAC Name: 1-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-3-phenylurea Traditional Name: 1-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-3-phenyl-urea Formula: C28H22N6O2 MolecularWeight: 474.51328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)NC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)NC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N6O2/c1-19-25(33-28(35)32-21-8-4-2-5-9-21)18-34-27(19)26(20(16-29)17-30-34)31-22-12-14-24(15-13-22)36-23-10-6-3-7-11-23/h2-15,17-18,31H,1H3,(H2,32,33,35)