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

Systemtic Name: 4-acetamido-N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]butanamide Openeye Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]butanamide CAS Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]butanamide IUPAC Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]butanamide Traditional Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]butyramide Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O3/c1-18-24(32-25(35)9-6-14-29-19(2)34)17-33-27(18)26(20(15-28)16-30-33)31-21-10-12-23(13-11-21)36-22-7-4-3-5-8-22/h3-5,7-8,10-13,16-17,31H,6,9,14H2,1-2H3,(H,29,34)(H,32,35)