(E)-4,4,4-tris(fluoranyl)-N-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide

Systemtic Name: (E)-4,4,4-tris(fluoranyl)-N-[4-[[2-(phenylmethyl)benzo[e]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide Openeye Name: (E)-N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluoro-but-2-enamide CAS Name: (E)-4,4,4-trifluoro-N-[4-[[2-(phenylmethyl)-5-benzo[e]indazolyl]amino]-6-pyrido[3,4-d]pyrimidinyl]-2-butenamide IUPAC Name: (E)-N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluorobut-2-enamide Traditional Name: (E)-N-[4-[(2-benzylbenz[e]indazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluoro-but-2-enamide Formula: C29H20F3N7O MolecularWeight: 539.51061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4C(=CC3=N2)NC5=NC=NC6=CN=C(C=C65)NC(=O)C=CC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4C(=CC3=N2)NC5=NC=NC6=CN=C(C=C65)NC(=O)/C=C/C(F)(F)F

InChI

InChI=1S/C29H20F3N7O/c30-29(31,32)11-10-27(40)37-26-12-21-25(14-33-26)34-17-35-28(21)36-23-13-24-22(19-8-4-5-9-20(19)23)16-39(38-24)15-18-6-2-1-3-7-18/h1-14,16-17H,15H2,(H,33,37,40)(H,34,35,36)/b11-10+