3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-quinolin-3-yl-pyrrolo[1,2-b]pyridazine-6-carboxamide

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-quinolin-3-yl-pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(3-quinolyl)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(3-quinolinyl)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-quinolin-3-ylpyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(3-quinolyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C31H22N6O2 MolecularWeight: 510.54538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CC4=CC=CC=C4N=C3)C#N)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CC4=CC=CC=C4N=C3)C#N)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H22N6O2/c1-20-27(31(38)36-24-15-21-7-5-6-10-28(21)33-18-24)19-37-30(20)29(22(16-32)17-34-37)35-23-11-13-26(14-12-23)39-25-8-3-2-4-9-25/h2-15,17-19,35H,1H3,(H,36,38)