N-[2-[[6-[4-[3-(3-cyanophenyl)prop-2-ynyl]piperazin-1-yl]carbonyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-[3-(3-cyanophenyl)prop-2-ynyl]piperazin-1-yl]carbonyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-[3-(3-cyanophenyl)prop-2-ynyl]piperazine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[[4-[3-(3-cyanophenyl)prop-2-ynyl]-1-piperazinyl]-oxomethyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-[3-(3-cyanophenyl)prop-2-ynyl]piperazine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-[3-(3-cyanophenyl)prop-2-ynyl]piperazine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C31H30N8O2 MolecularWeight: 546.6223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCN(CC3)CC#CC4=CC(=CC=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCN(CC3)CC#CC4=CC(=CC=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C31H30N8O2/c1-22(40)33-12-13-34-29-26-20-27(35-30(26)37-28(36-29)25-10-3-2-4-11-25)31(41)39-17-15-38(16-18-39)14-6-9-23-7-5-8-24(19-23)21-32/h2-5,7-8,10-11,19-20H,12-18H2,1H3,(H,33,40)(H2,34,35,36,37)