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

Systemtic Name: 6-(4-ethanoylpiperazin-1-yl)carbonyl-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-(4-acetylpiperazine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 6-[(4-acetyl-1-piperazinyl)-oxomethyl]-5-methyl-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-(4-acetylpiperazine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-(4-acetylpiperazine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCN(CC3)C(=O)C)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCN(CC3)C(=O)C)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N6O3/c1-19-25(28(36)33-14-12-32(13-15-33)20(2)35)18-34-27(19)26(21(16-29)17-30-34)31-22-8-10-24(11-9-22)37-23-6-4-3-5-7-23/h3-11,17-18,31H,12-15H2,1-2H3