N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[3-(1-imidazolyl)propylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]benzamide Formula: C28H26N8O MolecularWeight: 490.55904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NCCCN3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NCCCN3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

InChI

InChI=1S/C28H26N8O/c29-17-23-18-34-26-7-2-20(16-24(23)26)8-11-31-27(37)22-5-3-21(4-6-22)25-9-12-33-28(35-25)32-10-1-14-36-15-13-30-19-36/h2-7,9,12-13,15-16,18-19,34H,1,8,10-11,14H2,(H,31,37)(H,32,33,35)