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

Systemtic Name: 3-[[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbamoylamino]propanamide Openeye Name: 3-[[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamoylamino]propanamide CAS Name: 3-[[[[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]amino]-oxomethyl]amino]propanamide IUPAC Name: 3-[[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamoylamino]propanamide Traditional Name: 3-[[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]carbamoylamino]propionamide Formula: C25H23N7O3 MolecularWeight: 469.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)NCCC(=O)N)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)NCCC(=O)N)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N7O3/c1-16-21(31-25(34)28-12-11-22(27)33)15-32-24(16)23(17(13-26)14-29-32)30-18-7-9-20(10-8-18)35-19-5-3-2-4-6-19/h2-10,14-15,30H,11-12H2,1H3,(H2,27,33)(H2,28,31,34)