N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluoranyl-phenyl]-N-(4-fluorophenyl)propanediamide

Systemtic Name: N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluoranyl-phenyl]-N-(4-fluorophenyl)propanediamide Openeye Name: N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluoro-phenyl]-N-(4-fluorophenyl)propanediamide CAS Name: N'-[4-[[5-[3-[[(E)-4-(dimethylamino)-1-oxobut-2-enyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide IUPAC Name: N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide Traditional Name: N'-[4-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-3-fluoro-phenyl]-N-(4-fluorophenyl)malonamide Formula: C33H29F2N7O4 MolecularWeight: 625.624666

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=CC(=O)NC1=CC=CC(=C1)C2=CNC3=C2C(=NC=N3)OC4=C(C=C(C=C4)NC(=O)CC(=O)NC5=CC=C(C=C5)F)F

Isomeric SMILES

CN(C)C/C=C/C(=O)NC1=CC=CC(=C1)C2=CNC3=C2C(=NC=N3)OC4=C(C=C(C=C4)NC(=O)CC(=O)NC5=CC=C(C=C5)F)F

InChI

InChI=1S/C33H29F2N7O4/c1-42(2)14-4-7-28(43)40-23-6-3-5-20(15-23)25-18-36-32-31(25)33(38-19-37-32)46-27-13-12-24(16-26(27)35)41-30(45)17-29(44)39-22-10-8-21(34)9-11-22/h3-13,15-16,18-19H,14,17H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)(H,36,37,38)/b7-4+