3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-(2-piperidin-1-ylethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-(2-piperidin-1-ylethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-[2-(1-piperidyl)ethyl]pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-[2-(1-piperidinyl)ethyl]-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-piperidin-1-ylethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-piperidinoethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NCCN3CCCCC3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NCCN3CCCCC3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H30N6O2/c1-21-26(29(36)31-14-17-34-15-6-3-7-16-34)20-35-28(21)27(22(18-30)19-32-35)33-23-10-12-25(13-11-23)37-24-8-4-2-5-9-24/h2,4-5,8-13,19-20,33H,3,6-7,14-17H2,1H3,(H,31,36)