N-[(2S)-1-(methoxyamino)-1-oxidanylidene-3-[phenyl(pyridin-2-yl)amino]propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide

Systemtic Name: N-[(2S)-1-(methoxyamino)-1-oxidanylidene-3-[phenyl(pyridin-2-yl)amino]propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide Openeye Name: N-[(1S)-2-(methoxyamino)-2-oxo-1-[[N-(2-pyridyl)anilino]methyl]ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide CAS Name: N-[(2S)-1-(methoxyamino)-1-oxo-3-[N-(2-pyridinyl)anilino]propan-2-yl]-2-[2-(methylamino)-4-pyrimidinyl]-1H-indole-5-carboxamide IUPAC Name: N-[(2S)-1-(methoxyamino)-1-oxo-3-(N-pyridin-2-ylanilino)propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide Traditional Name: N-[(1S)-2-keto-2-(methoxyamino)-1-[[N-(2-pyridyl)anilino]methyl]ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide Formula: C29H28N8O3 MolecularWeight: 536.58442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=CC3=C(N2)C=CC(=C3)C(=O)NC(CN(C4=CC=CC=C4)C5=CC=CC=N5)C(=O)NOC

Isomeric SMILES

CNC1=NC=CC(=N1)C2=CC3=C(N2)C=CC(=C3)C(=O)N[C@@H](CN(C4=CC=CC=C4)C5=CC=CC=N5)C(=O)NOC

InChI

InChI=1S/C29H28N8O3/c1-30-29-32-15-13-23(35-29)24-17-20-16-19(11-12-22(20)33-24)27(38)34-25(28(39)36-40-2)18-37(21-8-4-3-5-9-21)26-10-6-7-14-31-26/h3-17,25,33H,18H2,1-2H3,(H,34,38)(H,36,39)(H,30,32,35)/t25-/m0/s1