N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]-3-ethoxy-propanamide

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]-3-ethoxy-propanamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-3-ethoxy-propanamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-3-ethoxypropanamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-3-ethoxypropanamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-3-ethoxy-propionamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NC1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOCCC(=O)NC1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O3/c1-3-33-14-13-24(32)30-23-17-31-26(18(23)2)25(19(15-27)16-28-31)29-20-9-11-22(12-10-20)34-21-7-5-4-6-8-21/h4-12,16-17,29H,3,13-14H2,1-2H3,(H,30,32)