N-[4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]phenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide

Systemtic Name: N-[4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]phenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide Openeye Name: N-[4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]phenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide CAS Name: N-[4-methyl-3-[[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-oxomethyl]amino]phenyl]-3-(1-piperazinyl)-5-(trifluoromethyl)benzamide IUPAC Name: N-[4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]phenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide Traditional Name: N-[4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]phenyl]-3-piperazino-5-(trifluoromethyl)benzamide Formula: C27H27F3N8O2 MolecularWeight: 552.55089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3CCNCC3)C(F)(F)F)NC(=O)N(C)C4=NC=NC5=C4C=CN5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)N3CCNCC3)C(F)(F)F)NC(=O)N(C)C4=NC=NC5=C4C=CN5

InChI

InChI=1S/C27H27F3N8O2/c1-16-3-4-19(14-22(16)36-26(40)37(2)24-21-5-6-32-23(21)33-15-34-24)35-25(39)17-11-18(27(28,29)30)13-20(12-17)38-9-7-31-8-10-38/h3-6,11-15,31H,7-10H2,1-2H3,(H,35,39)(H,36,40)(H,32,33,34)