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

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-morpholinopropylamino)pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[3-(4-morpholinyl)propylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-morpholinopropylamino)pyrimidin-4-yl]benzamide Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

Isomeric SMILES

C1COCCN1CCCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

InChI

InChI=1S/C29H31N7O2/c30-19-24-20-34-27-7-2-21(18-25(24)27)8-11-31-28(37)23-5-3-22(4-6-23)26-9-12-33-29(35-26)32-10-1-13-36-14-16-38-17-15-36/h2-7,9,12,18,20,34H,1,8,10-11,13-17H2,(H,31,37)(H,32,33,35)