4-[(3-cyanophenyl)amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide

Systemtic Name: 4-[(3-cyanophenyl)amino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide Openeye Name: 4-(3-cyanoanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide CAS Name: 4-(3-cyanoanilino)-N-[2-methyl-5-[[[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]phenyl]-7-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3-cyanoanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide Traditional Name: 4-(3-cyanoanilino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide Formula: C33H24F3N9O2 MolecularWeight: 635.59797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)N4C=CC5=C4N=CN=C5NC6=CC=CC(=C6)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC(=O)N4C=CC5=C4N=CN=C5NC6=CC=CC(=C6)C#N

InChI

InChI=1S/C33H24F3N9O2/c1-19-6-7-25(42-31(46)22-11-23(33(34,35)36)13-26(12-22)44-16-20(2)40-18-44)14-28(19)43-32(47)45-9-8-27-29(38-17-39-30(27)45)41-24-5-3-4-21(10-24)15-37/h3-14,16-18H,1-2H3,(H,42,46)(H,43,47)(H,38,39,41)