tert-butyl N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamate Openeye Name: tert-butyl N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamate CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamate Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid tert-butyl ester Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3/c1-17-22(30-25(32)34-26(2,3)4)16-31-24(17)23(18(14-27)15-28-31)29-19-10-12-21(13-11-19)33-20-8-6-5-7-9-20/h5-13,15-16,29H,1-4H3,(H,30,32)