N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(2-pyrimidylamino)benzamide Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H25N5O2/c1-35-22-12-10-19(11-13-22)24(25-18-31-26-9-3-2-8-23(25)26)17-32-27(34)20-6-4-7-21(16-20)33-28-29-14-5-15-30-28/h2-16,18,24,31H,17H2,1H3,(H,32,34)(H,29,30,33)