5-methyl-6-(3-oxidanylpyrrolidin-1-yl)carbonyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 5-methyl-6-(3-oxidanylpyrrolidin-1-yl)carbonyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 6-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-5-methyl-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C26H23N5O3 MolecularWeight: 453.49252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCC(C3)O)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCC(C3)O)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H23N5O3/c1-17-23(26(33)30-12-11-20(32)15-30)16-31-25(17)24(18(13-27)14-28-31)29-19-7-9-22(10-8-19)34-21-5-3-2-4-6-21/h2-10,14,16,20,29,32H,11-12,15H2,1H3