5-methyl-4-[(4-phenoxyphenyl)amino]-6-piperidin-1-ylcarbonyl-pyrrolo[1,2-b]pyridazine-3-carbonitrile

Systemtic Name: 5-methyl-4-[(4-phenoxyphenyl)amino]-6-piperidin-1-ylcarbonyl-pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 5-methyl-4-(4-phenoxyanilino)-6-(piperidine-1-carbonyl)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 5-methyl-6-[oxo(1-piperidinyl)methyl]-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 5-methyl-4-(4-phenoxyanilino)-6-(piperidine-1-carbonyl)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 5-methyl-4-(4-phenoxyanilino)-6-(piperidine-1-carbonyl)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCCCC3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCCCC3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-19-24(27(33)31-14-6-3-7-15-31)18-32-26(19)25(20(16-28)17-29-32)30-21-10-12-23(13-11-21)34-22-8-4-2-5-9-22/h2,4-5,8-13,17-18,30H,3,6-7,14-15H2,1H3