ethyl 3-isocyano-5-methyl-4-[[3-(oxan-2-yloxymethyl)-4-phenoxy-phenyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-isocyano-5-methyl-4-[[3-(oxan-2-yloxymethyl)-4-phenoxy-phenyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-isocyano-5-methyl-4-[4-phenoxy-3-(tetrahydropyran-2-yloxymethyl)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-isocyano-5-methyl-4-[3-(2-oxanyloxymethyl)-4-phenoxyanilino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyano-5-methyl-4-[3-(oxan-2-yloxymethyl)-4-phenoxyanilino]pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-isocyano-5-methyl-4-[4-phenoxy-3-(tetrahydropyran-2-yloxymethyl)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)[N+]#[C-])NC3=CC(=C(C=C3)OC4=CC=CC=C4)COC5CCCCO5

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)[N+]#[C-])NC3=CC(=C(C=C3)OC4=CC=CC=C4)COC5CCCCO5

InChI

InChI=1S/C30H30N4O5/c1-4-36-30(35)24-18-34-29(20(24)2)28(25(31-3)17-32-34)33-22-13-14-26(39-23-10-6-5-7-11-23)21(16-22)19-38-27-12-8-9-15-37-27/h5-7,10-11,13-14,16-18,27,33H,4,8-9,12,15,19H2,1-2H3