7-iodanyl-6-methanoyl-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 7-iodanyl-6-methanoyl-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-formyl-7-iodo-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 6-formyl-7-iodo-5-methyl-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-formyl-7-iodo-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-formyl-7-iodo-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C22H15IN4O2 MolecularWeight: 494.28457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C(=C1C=O)I)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C(=C1C=O)I)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H15IN4O2/c1-14-19(13-28)22(23)27-21(14)20(15(11-24)12-25-27)26-16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-10,12-13,26H,1H3