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

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-methoxypropylamino)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-methoxypropylamino)pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-methoxypropylamino)-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-methoxypropylamino)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(3-methoxypropylamino)pyrimidin-4-yl]benzamide Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N

Isomeric SMILES

COCCCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N

InChI

InChI=1S/C26H26N6O2/c1-34-14-2-11-29-26-30-13-10-23(32-26)19-4-6-20(7-5-19)25(33)28-12-9-18-3-8-24-22(15-18)21(16-27)17-31-24/h3-8,10,13,15,17,31H,2,9,11-12,14H2,1H3,(H,28,33)(H,29,30,32)