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

Systemtic Name: 5-methyl-6-(4-methylpiperazin-1-yl)carbonyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 5-methyl-6-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 5-methyl-6-[(4-methyl-1-piperazinyl)-oxomethyl]-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 5-methyl-6-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 5-methyl-6-(4-methylpiperazine-1-carbonyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O2/c1-19-24(27(34)32-14-12-31(2)13-15-32)18-33-26(19)25(20(16-28)17-29-33)30-21-8-10-23(11-9-21)35-22-6-4-3-5-7-22/h3-11,17-18,30H,12-15H2,1-2H3