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

Systemtic Name: 5-methyl-6-(4-oxidanylpiperidin-1-yl)carbonyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile Openeye Name: 6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile CAS Name: 6-[(4-hydroxy-1-piperidinyl)-oxomethyl]-5-methyl-4-(4-phenoxyanilino)-3-pyrrolo[1,2-b]pyridazinecarbonitrile IUPAC Name: 6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Traditional Name: 6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-3-carbonitrile Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCC(CC3)O)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCC(CC3)O)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c1-18-24(27(34)31-13-11-21(33)12-14-31)17-32-26(18)25(19(15-28)16-29-32)30-20-7-9-23(10-8-20)35-22-5-3-2-4-6-22/h2-10,16-17,21,30,33H,11-14H2,1H3